CID 5273829

N-[2-oxo-2-[(4-phenylcyclohexyl)amino]ethyl]benzotriazole-1-carboxamide

Structural Information

Molecular Formula
C21H23N5O2
SMILES
C1CC(CCC1C2=CC=CC=C2)NC(=O)CNC(=O)N3C4=CC=CC=C4N=N3
InChI
InChI=1S/C21H23N5O2/c27-20(14-22-21(28)26-19-9-5-4-8-18(19)24-25-26)23-17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,22,28)(H,23,27)
InChIKey
MPGCUTWOSGXVFL-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-[(4-phenylcyclohexyl)amino]ethyl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.18518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.192456 187.0
[M+Na]+ 400.174398 190.8
[M-H]- 376.177904 193.0
[M+NH4]+ 395.219003 195.9
[M+K]+ 416.148338 185.2
[M+H-H2O]+ 360.182440 175.3
[M+HCOO]- 422.183381 204.8
[M+CH3COO]- 436.199031 194.9
[M+Na-2H]- 398.159846 190.1
[M]+ 377.18463142 183.6
[M]- 377.18572858 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.