CID 6476727

1-cyclohexyl-2-[(e)-styryl]benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C22H22N2O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2/C=C/C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O2/c25-22(26)17-12-13-20-19(15-17)23-21(14-11-16-7-3-1-4-8-16)24(20)18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,25,26)/b14-11+
InChIKey
JPBCACHFTXARJK-SDNWHVSQSA-N
Compound name
1-cyclohexyl-2-[(E)-2-phenylethenyl]benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16812 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 184.0
[M+Na]+ 369.15734 189.9
[M-H]- 345.16084 190.0
[M+NH4]+ 364.20194 195.7
[M+K]+ 385.13128 182.6
[M+H-H2O]+ 329.16538 173.6
[M+HCOO]- 391.16632 200.0
[M+CH3COO]- 405.18197 192.8
[M+Na-2H]- 367.14279 184.3
[M]+ 346.16757 180.7
[M]- 346.16867 180.7
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.