CID 490969

1-cyclohexyl-2-[4-[2-[3-(dimethylamino)propylamino]-2-oxo-ethoxy]phenyl]-n-[(4-sulfamoylphenyl)methyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C34H42N6O5S
SMILES
CN(C)CCCNC(=O)COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)NCC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C34H42N6O5S/c1-39(2)20-6-19-36-32(41)23-45-28-14-11-25(12-15-28)33-38-30-21-26(13-18-31(30)40(33)27-7-4-3-5-8-27)34(42)37-22-24-9-16-29(17-10-24)46(35,43)44/h9-18,21,27H,3-8,19-20,22-23H2,1-2H3,(H,36,41)(H,37,42)(H2,35,43,44)
InChIKey
GSUKNSHYNXCYBM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]-N-[(4-sulfamoylphenyl)methyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.29376 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.30104 247.4
[M+Na]+ 669.28298 246.7
[M-H]- 645.28648 257.4
[M+NH4]+ 664.32758 246.4
[M+K]+ 685.25692 242.7
[M+H-H2O]+ 629.29102 235.6
[M+HCOO]- 691.29196 259.3
[M+CH3COO]- 705.30761 277.2
[M+Na-2H]- 667.26843 247.4
[M]+ 646.29321 249.9
[M]- 646.29431 249.9
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.