CID 3012650

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

Structural Information

Molecular Formula
C35H36N4O6
SMILES
COCC1=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/C35H36N4O6/c1-43-20-24-18-31(40)45-30-19-25(10-11-27(24)30)36-34(42)35(14-5-6-15-35)38-33(41)22-9-12-29-28(17-22)37-32(23-13-16-44-21-23)39(29)26-7-3-2-4-8-26/h9-13,16-19,21,26H,2-8,14-15,20H2,1H3,(H,36,42)(H,38,41)
InChIKey
WIDYGUBFHAVRQO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(methoxymethyl)-2-oxochromen-7-yl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.2635 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.27078 234.1
[M+Na]+ 631.25272 237.2
[M-H]- 607.25622 250.8
[M+NH4]+ 626.29732 238.0
[M+K]+ 647.22666 235.3
[M+H-H2O]+ 591.26076 224.3
[M+HCOO]- 653.26170 249.0
[M+CH3COO]- 667.27735 240.3
[M+Na-2H]- 629.23817 229.8
[M]+ 608.26295 236.8
[M]- 608.26405 236.8
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.