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]+ 378.19246 187.0
[M+Na]+ 400.17440 190.8
[M-H]- 376.17790 193.0
[M+NH4]+ 395.21900 195.9
[M+K]+ 416.14834 185.2
[M+H-H2O]+ 360.18244 175.3
[M+HCOO]- 422.18338 204.8
[M+CH3COO]- 436.19903 194.9
[M+Na-2H]- 398.15985 190.1
[M]+ 377.18463 183.6
[M]- 377.18573 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.