Nile blue

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Systematic / IUPAC Name: 9-(Diethylamino)-5H-benzo[a]phenoxazin-5-iminium

ID: Reference5178

Other Names: (5-Aminobenzo[3,4-b]naphtho[1,2-E]1,4-oxazin-9-yl)diethylamine;
5H-Benzo[a]phenoxazin-5-iminium, 9-(diethylamino)-;
5-Amino-9-(diethylamino)benzo[a]phenoxazine-7-ium;
8-(Diethylamino)-12H-10-oxa-5-azatetraphen-12-iminium;
Nile blue cation

Formula: C20H20N3O+

Spectral Data

Nile blue mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/15/2016 12:13:55 PM
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Identificators

InChI InChI=1S/C20H19N3O/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17/h5-12,21H,3-4H2,1-2H3/p+1
InChI Key YQSIDWSTCJNDPD-UHFFFAOYSA-O
Canonical SMILES CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH2+])C=C3O2
CAS
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Other Names (5-Aminobenzo[3,4-b]naphtho[1,2-E]1,4-oxazin-9-yl)diethylamine;
5H-Benzo[a]phenoxazin-5-iminium, 9-(diethylamino)-;
5-Amino-9-(diethylamino)benzo[a]phenoxazine-7-ium;
8-(Diethylamino)-12H-10-oxa-5-azatetraphen-12-iminium;
Nile blue cation

In Other Databases

Wikipedia Nile blue
ChEMBL CHEMBL1185333
ChemSpider 16050
PubChem 16939