CID 5278812

1-cycloheptyl-2-[(3,5-dimethylphenyl)methylamino]-n-(2-hydroxy-1-methyl-ethyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H36N4O2
SMILES
CC1=CC(=CC(=C1)CNC2=NC3=C(N2C4CCCCCC4)C=CC(=C3)C(=O)NC(C)CO)C
InChI
InChI=1S/C27H36N4O2/c1-18-12-19(2)14-21(13-18)16-28-27-30-24-15-22(26(33)29-20(3)17-32)10-11-25(24)31(27)23-8-6-4-5-7-9-23/h10-15,20,23,32H,4-9,16-17H2,1-3H3,(H,28,30)(H,29,33)
InChIKey
CTRSHJOUEGXYFF-UHFFFAOYSA-N
Compound name
1-cycloheptyl-2-[(3,5-dimethylphenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2838 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.29108 214.0
[M+Na]+ 471.27302 216.5
[M-H]- 447.27652 221.6
[M+NH4]+ 466.31762 221.3
[M+K]+ 487.24696 215.2
[M+H-H2O]+ 431.28106 203.5
[M+HCOO]- 493.28200 229.1
[M+CH3COO]- 507.29765 220.1
[M+Na-2H]- 469.25847 210.9
[M]+ 448.28325 209.6
[M]- 448.28435 209.6
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.