CID 5276024

1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)phenyl]-6-quinolyl]benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C35H27Cl2N3O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC5=C(C=C4)N=C(C=C5)C6=CC=CC=C6C7=CC(=C(C=C7)Cl)Cl
InChI
InChI=1S/C35H27Cl2N3O2/c36-28-14-10-21(19-29(28)37)26-8-4-5-9-27(26)31-16-11-22-18-23(12-15-30(22)38-31)34-39-32-20-24(35(41)42)13-17-33(32)40(34)25-6-2-1-3-7-25/h4-5,8-20,25H,1-3,6-7H2,(H,41,42)
InChIKey
KMAVQLHQPOELIL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-[2-[2-(3,4-dichlorophenyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.148 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.15528 242.5
[M+Na]+ 614.13722 250.2
[M-H]- 590.14072 252.7
[M+NH4]+ 609.18182 244.3
[M+K]+ 630.11116 239.4
[M+H-H2O]+ 574.14526 227.0
[M+HCOO]- 636.14620 243.9
[M+CH3COO]- 650.16185 246.6
[M+Na-2H]- 612.12267 237.9
[M]+ 591.14745 243.8
[M]- 591.14855 243.8
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.