CID 3012649

1-cyclohexyl-2-(3-furyl)-n-[1-({[2-oxo-4-(trifluoromethyl)-2h-chromen-7-yl]amino}carbonyl)cyclopentyl]-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C34H31F3N4O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC6=C(C=C5)C(=CC(=O)O6)C(F)(F)F)N=C2C7=COC=C7
InChI
InChI=1S/C34H31F3N4O5/c35-34(36,37)25-18-29(42)46-28-17-22(9-10-24(25)28)38-32(44)33(13-4-5-14-33)40-31(43)20-8-11-27-26(16-20)39-30(21-12-15-45-19-21)41(27)23-6-2-1-3-7-23/h8-12,15-19,23H,1-7,13-14H2,(H,38,44)(H,40,43)
InChIKey
MJTHDCNAGPOAHR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.2247 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.23198 237.5
[M+Na]+ 655.21392 242.3
[M-H]- 631.21742 250.9
[M+NH4]+ 650.25852 240.8
[M+K]+ 671.18786 238.9
[M+H-H2O]+ 615.22196 226.3
[M+HCOO]- 677.22290 248.2
[M+CH3COO]- 691.23855 242.8
[M+Na-2H]- 653.19937 233.4
[M]+ 632.22415 236.0
[M]- 632.22525 236.0
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.