CID 5278805

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

Structural Information

Molecular Formula
C26H33FN4O2
SMILES
CC1=C(C(=CC=C1)CNC2=NC3=C(N2C4CCCCCC4)C=CC(=C3)C(=O)NC(C)CO)F
InChI
InChI=1S/C26H33FN4O2/c1-17-8-7-9-20(24(17)27)15-28-26-30-22-14-19(25(33)29-18(2)16-32)12-13-23(22)31(26)21-10-5-3-4-6-11-21/h7-9,12-14,18,21,32H,3-6,10-11,15-16H2,1-2H3,(H,28,30)(H,29,33)
InChIKey
PYUBMCOTORITPF-UHFFFAOYSA-N
Compound name
1-cycloheptyl-2-[(2-fluoro-3-methylphenyl)methylamino]-N-(1-hydroxypropan-2-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.25876 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.26604 211.0
[M+Na]+ 475.24798 214.0
[M-H]- 451.25148 217.4
[M+NH4]+ 470.29258 218.1
[M+K]+ 491.22192 212.5
[M+H-H2O]+ 435.25602 199.8
[M+HCOO]- 497.25696 225.5
[M+CH3COO]- 511.27261 217.0
[M+Na-2H]- 473.23343 208.0
[M]+ 452.25821 205.4
[M]- 452.25931 205.4
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.