CID 491155

1-cyclohexyl-2-(3-furyl)-n-[(1s)-2-(5-hydroxy-1h-indol-3-yl)-1-(4-pyridyl)ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C33H31N5O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C6=CC=NC=C6)N=C2C7=COC=C7
InChI
InChI=1S/C33H31N5O3/c39-26-7-8-28-27(18-26)24(19-35-28)17-29(21-10-13-34-14-11-21)37-33(40)22-6-9-31-30(16-22)36-32(23-12-15-41-20-23)38(31)25-4-2-1-3-5-25/h6-16,18-20,25,29,35,39H,1-5,17H2,(H,37,40)/t29-/m0/s1
InChIKey
VBMPSRZAFCCKJF-LJAQVGFWSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-(5-hydroxy-1H-indol-3-yl)-1-pyridin-4-ylethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.2427 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.24998 218.6
[M+Na]+ 568.23192 222.5
[M-H]- 544.23542 230.6
[M+NH4]+ 563.27652 221.0
[M+K]+ 584.20586 216.0
[M+H-H2O]+ 528.23996 207.8
[M+HCOO]- 590.24090 230.9
[M+CH3COO]- 604.25655 224.2
[M+Na-2H]- 566.21737 214.1
[M]+ 545.24215 217.8
[M]- 545.24325 217.8
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.