CID 5273375

1h-benzimidazole-5-carboxamide, n-[(1s)-1-[2-(acetylamino)-1h-imidazol-4-yl]-2-(5-hydroxy-1-methyl-1h-indol-3-yl)ethyl]-1-cyclohexyl-2-(3-furanyl)-

Structural Information

Molecular Formula
C34H35N7O4
SMILES
CC(=O)NC1=NC=C(N1)[C@H](CC2=CN(C3=C2C=C(C=C3)O)C)NC(=O)C4=CC5=C(C=C4)N(C(=N5)C6=COC=C6)C7CCCCC7
InChI
InChI=1S/C34H35N7O4/c1-20(42)36-34-35-17-29(39-34)27(15-23-18-40(2)30-11-9-25(43)16-26(23)30)38-33(44)21-8-10-31-28(14-21)37-32(22-12-13-45-19-22)41(31)24-6-4-3-5-7-24/h8-14,16-19,24,27,43H,3-7,15H2,1-2H3,(H,38,44)(H2,35,36,39,42)/t27-/m0/s1
InChIKey
JVTDKGPYSXIKBH-MHZLTWQESA-N
Compound name
N-[(1S)-1-(2-acetamido-1H-imidazol-5-yl)-2-(5-hydroxy-1-methylindol-3-yl)ethyl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

605.275 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.28228 227.6
[M+Na]+ 628.26422 231.4
[M-H]- 604.26772 241.2
[M+NH4]+ 623.30882 228.7
[M+K]+ 644.23816 227.3
[M+H-H2O]+ 588.27226 219.0
[M+HCOO]- 650.27320 241.2
[M+CH3COO]- 664.28885 233.1
[M+Na-2H]- 626.24967 220.4
[M]+ 605.27445 230.9
[M]- 605.27555 230.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.