CID 3012701

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

Structural Information

Molecular Formula
C34H34N4O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3(CCCC3)NC(=O)C4=CC5=C(C=C4)N(C(=N5)C6=COC=C6)C7CCCCC7
InChI
InChI=1S/C34H34N4O5/c1-21-17-30(39)43-29-19-24(10-11-26(21)29)35-33(41)34(14-5-6-15-34)37-32(40)22-9-12-28-27(18-22)36-31(23-13-16-42-20-23)38(28)25-7-3-2-4-8-25/h9-13,16-20,25H,2-8,14-15H2,1H3,(H,35,41)(H,37,40)
InChIKey
POCNOKKLBLXYFO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.2529 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.26018 229.2
[M+Na]+ 601.24212 233.3
[M-H]- 577.24562 246.1
[M+NH4]+ 596.28672 234.5
[M+K]+ 617.21606 230.4
[M+H-H2O]+ 561.25016 219.5
[M+HCOO]- 623.25110 244.4
[M+CH3COO]- 637.26675 236.0
[M+Na-2H]- 599.22757 224.8
[M]+ 578.25235 230.4
[M]- 578.25345 230.4
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.