9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

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Systematic / IUPAC Name: 9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile

ID: Reference7016

Other Names: Pyrazolo[5,1-b]quinazoline-3-carbonitrile, 4,5,6,7,8,9-hexahydro-9-oxo-

Formula: C11H10N4O

Spectral Data

9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/21/2017 9:02:26 AM
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Identificators

InChI InChI=1S/C11H10N4O/c12-5-7-6-13-15-10(7)14-9-4-2-1-3-8(9)11(15)16/h6,14H,1-4H2
InChI Key XTTNXYOVGZYVFK-UHFFFAOYSA-N
Canonical SMILES c1c(c2[nH]c3c(c(=O)n2n1)CCCC3)C#N
CAS
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Other Names Pyrazolo[5,1-b]quinazoline-3-carbonitrile, 4,5,6,7,8,9-hexahydro-9-oxo-

In Other Databases

ChEMBL CHEMBL3786862
PubChem 736587
ChemSpider 17804335