CID 6482206

N-(2-cyclohexylbenzotriazol-5-yl)benzamide

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CCC(CC1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c24-19(14-7-3-1-4-8-14)20-15-11-12-17-18(13-15)22-23(21-17)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,20,24)
InChIKey
BJIXMMZSFUZLBX-UHFFFAOYSA-N
Compound name
N-(2-cyclohexylbenzotriazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 174.3
[M+Na]+ 343.15292 180.1
[M-H]- 319.15642 180.4
[M+NH4]+ 338.19752 186.0
[M+K]+ 359.12686 174.0
[M+H-H2O]+ 303.16096 162.9
[M+HCOO]- 365.16190 192.3
[M+CH3COO]- 379.17755 183.7
[M+Na-2H]- 341.13837 178.3
[M]+ 320.16315 170.7
[M]- 320.16425 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.