CID 3012648

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

Structural Information

Molecular Formula
C33H32N4O5
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4(CCCC4)C(=O)NC5=CC6=C(C=C5)OC(=O)C=C6)N=C2C7=COC=C7
InChI
InChI=1S/C33H32N4O5/c38-29-13-9-21-18-24(10-12-28(21)42-29)34-32(40)33(15-4-5-16-33)36-31(39)22-8-11-27-26(19-22)35-30(23-14-17-41-20-23)37(27)25-6-2-1-3-7-25/h8-14,17-20,25H,1-7,15-16H2,(H,34,40)(H,36,39)
InChIKey
NDXGETFNFLAYTN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[(2-oxochromen-6-yl)carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.23724 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.24452 223.4
[M+Na]+ 587.22646 227.2
[M-H]- 563.22996 240.1
[M+NH4]+ 582.27106 229.1
[M+K]+ 603.20040 224.5
[M+H-H2O]+ 547.23450 213.7
[M+HCOO]- 609.23544 239.1
[M+CH3COO]- 623.25109 230.4
[M+Na-2H]- 585.21191 220.2
[M]+ 564.23669 223.9
[M]- 564.23779 223.9
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.