CID 3043182

3-(4,5-diphenyl-1h-imidazol-2-yl)propanoic acid

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)CCC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2/c21-16(22)12-11-15-19-17(13-7-3-1-4-8-13)18(20-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)(H,21,22)
InChIKey
JYMCCVMGJODMDO-UHFFFAOYSA-N
Compound name
3-(4,5-diphenyl-1H-imidazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

292.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.9
[M+Na]+ 315.110418 174.7
[M-H]- 291.113924 172.6
[M+NH4]+ 310.155023 180.4
[M+K]+ 331.084358 168.4
[M+H-H2O]+ 275.118460 158.5
[M+HCOO]- 337.119401 187.0
[M+CH3COO]- 351.135051 178.1
[M+Na-2H]- 313.095866 170.1
[M]+ 292.12065142 166.1
[M]- 292.12174858 166.1
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