CID 3061573

4-(2-(4-chlorophenyl)-3-(1h-imidazol-1-yl)oxiranyl)benzoic acid

Structural Information

Molecular Formula
C18H13ClN2O3
SMILES
C1=CC(=CC=C1C(=O)O)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN2O3/c19-15-7-5-14(6-8-15)18(17(24-18)21-10-9-20-11-21)13-3-1-12(2-4-13)16(22)23/h1-11,17H,(H,22,23)
InChIKey
YFMRQHZBFIVEBI-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

340.06146 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06874 179.3
[M+Na]+ 363.05068 196.8
[M+NH4]+ 358.09528 188.8
[M+K]+ 379.02462 190.6
[M-H]- 339.05418 192.8
[M+Na-2H]- 361.03613 192.3
[M]+ 340.06091 187.4
[M]- 340.06201 187.4
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