CID 5278801

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

Structural Information

Molecular Formula
C26H34N4O2
SMILES
CC1=CC(=CC=C1)CNC2=NC3=C(N2C4CCCCCC4)C=CC(=C3)C(=O)NC(C)CO
InChI
InChI=1S/C26H34N4O2/c1-18-8-7-9-20(14-18)16-27-26-29-23-15-21(25(32)28-19(2)17-31)12-13-24(23)30(26)22-10-5-3-4-6-11-22/h7-9,12-15,19,22,31H,3-6,10-11,16-17H2,1-2H3,(H,27,29)(H,28,32)
InChIKey
WFCKUSAAHFOYLM-UHFFFAOYSA-N
Compound name
1-cycloheptyl-N-(1-hydroxypropan-2-yl)-2-[(3-methylphenyl)methylamino]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

434.2682 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27548 209.0
[M+Na]+ 457.25742 211.0
[M-H]- 433.26092 216.3
[M+NH4]+ 452.30202 216.5
[M+K]+ 473.23136 209.8
[M+H-H2O]+ 417.26546 198.4
[M+HCOO]- 479.26640 224.4
[M+CH3COO]- 493.28205 215.1
[M+Na-2H]- 455.24287 207.1
[M]+ 434.26765 203.8
[M]- 434.26875 203.8
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.