CID 5278802

2-(benzylamino)-1-cycloheptyl-n-(2-hydroxy-1-methyl-ethyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CC(CO)NC(=O)C1=CC2=C(C=C1)N(C(=N2)NCC3=CC=CC=C3)C4CCCCCC4
InChI
InChI=1S/C25H32N4O2/c1-18(17-30)27-24(31)20-13-14-23-22(15-20)28-25(26-16-19-9-5-4-6-10-19)29(23)21-11-7-2-3-8-12-21/h4-6,9-10,13-15,18,21,30H,2-3,7-8,11-12,16-17H2,1H3,(H,26,28)(H,27,31)
InChIKey
OWBRIEJZSQJQTJ-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-cycloheptyl-N-(1-hydroxypropan-2-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.25253 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25981 203.8
[M+Na]+ 443.24175 205.4
[M-H]- 419.24525 210.9
[M+NH4]+ 438.28635 211.6
[M+K]+ 459.21569 204.2
[M+H-H2O]+ 403.24979 193.2
[M+HCOO]- 465.25073 219.6
[M+CH3COO]- 479.26638 210.1
[M+Na-2H]- 441.22720 203.1
[M]+ 420.25198 197.9
[M]- 420.25308 197.9
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.