CID 5273830

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

Structural Information

Molecular Formula
C22H25N5O2
SMILES
C1CC(CCC1CNC(=O)CNC(=O)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H25N5O2/c28-21(15-24-22(29)27-20-9-5-4-8-19(20)25-26-27)23-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H,23,28)(H,24,29)
InChIKey
XJFXRPAUYGRIFW-UHFFFAOYSA-N
Compound name
N-[2-oxo-2-[(4-phenylcyclohexyl)methylamino]ethyl]benzotriazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.20084 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20812 191.3
[M+Na]+ 414.19006 194.5
[M-H]- 390.19356 197.1
[M+NH4]+ 409.23466 199.6
[M+K]+ 430.16400 188.8
[M+H-H2O]+ 374.19810 179.3
[M+HCOO]- 436.19904 208.7
[M+CH3COO]- 450.21469 198.7
[M+Na-2H]- 412.17551 193.9
[M]+ 391.20029 188.1
[M]- 391.20139 188.1
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.