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

11
Patents

292.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.9
[M+Na]+ 315.11042 174.7
[M-H]- 291.11392 172.6
[M+NH4]+ 310.15502 180.4
[M+K]+ 331.08436 168.4
[M+H-H2O]+ 275.11846 158.5
[M+HCOO]- 337.11940 187.0
[M+CH3COO]- 351.13505 178.1
[M+Na-2H]- 313.09587 170.1
[M]+ 292.12065 166.1
[M]- 292.12175 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