CID 3061574

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

Structural Information

Molecular Formula
C18H14ClN3O2
SMILES
C1=CC(=CC=C1C(=O)N)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN3O2/c19-15-7-5-14(6-8-15)18(17(24-18)22-10-9-21-11-22)13-3-1-12(2-4-13)16(20)23/h1-11,17H,(H2,20,23)
InChIKey
DZKNYDFVBNJTHG-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

339.07745 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08473 175.0
[M+Na]+ 362.06667 185.9
[M-H]- 338.07017 186.1
[M+NH4]+ 357.11127 183.5
[M+K]+ 378.04061 180.8
[M+H-H2O]+ 322.07471 166.5
[M+HCOO]- 384.07565 192.3
[M+CH3COO]- 398.09130 186.2
[M+Na-2H]- 360.05212 178.2
[M]+ 339.07690 179.8
[M]- 339.07800 179.8
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

patents stripe