CID 490869

1-cyclohexyl-2-(3-furyl)-n-[(1s)-2-(4-hydroxyphenyl)-1-(3-pyridyl)ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C31H30N4O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C5=CN=CC=C5)N=C2C6=COC=C6
InChI
InChI=1S/C31H30N4O3/c36-26-11-8-21(9-12-26)17-27(23-5-4-15-32-19-23)34-31(37)22-10-13-29-28(18-22)33-30(24-14-16-38-20-24)35(29)25-6-2-1-3-7-25/h4-5,8-16,18-20,25,27,36H,1-3,6-7,17H2,(H,34,37)/t27-/m0/s1
InChIKey
XSJDXLAYEBYCQV-MHZLTWQESA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-(4-hydroxyphenyl)-1-pyridin-3-ylethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

506.23178 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23906 217.2
[M+Na]+ 529.22100 220.0
[M-H]- 505.22450 229.0
[M+NH4]+ 524.26560 220.0
[M+K]+ 545.19494 214.0
[M+H-H2O]+ 489.22904 204.8
[M+HCOO]- 551.22998 230.8
[M+CH3COO]- 565.24563 223.0
[M+Na-2H]- 527.20645 214.0
[M]+ 506.23123 214.9
[M]- 506.23233 214.9
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

patents stripe