1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(phenylcarbamoyl)amino]-D-arabinitol

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Systematic / IUPAC Name: 1-[[(2R,3S,4R)-4-(Cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-3-phenylurea

ID: Reference12807

Other Names: D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551907

Formula: C18H27N3O3

Spectral Data

1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(phenylcarbamoyl)amino]-D-arabinitol 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1018
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/9/2023 10:54:32 AM
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Identificators

InChI InChI=1S/C18H27N3O3/c22-17-15(20-13-7-3-1-4-8-13)12-24-16(17)11-19-18(23)21-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-17,20,22H,1,3-4,7-8,11-12H2,(H2,19,21,23)/t15-,16-,17+/m1/s1
InChI Key KBMDIJLMCRDADM-ZACQAIPSSA-N
Canonical SMILES C1CCC(CC1)NC2COC(C2O)CNC(=O)NC3=CC=CC=C3
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT19-551907

In Other Databases

ChEMBL CHEMBL3437035
ChemSpider 29858690
PubChem 75367106