CID 3061541

1-(3-(2-chlorophenyl)-3-phenyloxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H13ClN2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H13ClN2O/c18-15-9-5-4-8-14(15)17(13-6-2-1-3-7-13)16(21-17)20-11-10-19-12-20/h1-12,16H
InChIKey
BEUFLPALIBNOIX-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.07166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07894 169.7
[M+Na]+ 319.06088 188.7
[M+NH4]+ 314.10548 181.0
[M+K]+ 335.03482 180.6
[M-H]- 295.06438 184.8
[M+Na-2H]- 317.04633 184.8
[M]+ 296.07111 178.6
[M]- 296.07221 178.6
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