CID 3012663

1-cyclohexyl-2-(3-furyl)-n-(1-{[(6-morpholin-4-ylpyridin-3-yl)amino]carbonyl}cyclopentyl)-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C33H38N6O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CN=C(C=C5)N6CCOCC6)N=C2C7=COC=C7
InChI
InChI=1S/C33H38N6O4/c40-31(23-8-10-28-27(20-23)36-30(24-12-17-43-22-24)39(28)26-6-2-1-3-7-26)37-33(13-4-5-14-33)32(41)35-25-9-11-29(34-21-25)38-15-18-42-19-16-38/h8-12,17,20-22,26H,1-7,13-16,18-19H2,(H,35,41)(H,37,40)
InChIKey
BJTROGXEOCOPFP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[(6-morpholin-4-ylpyridin-3-yl)carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.2955 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.30278 223.3
[M+Na]+ 605.28472 222.3
[M-H]- 581.28822 237.7
[M+NH4]+ 600.32932 223.7
[M+K]+ 621.25866 219.6
[M+H-H2O]+ 565.29276 210.9
[M+HCOO]- 627.29370 232.3
[M+CH3COO]- 641.30935 227.2
[M+Na-2H]- 603.27017 216.3
[M]+ 582.29495 217.0
[M]- 582.29605 217.0
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.