CID 3061552

1-(3-(4-chlorophenyl)-3-phenyloxiranyl)-1h-imidazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 165.8
[M+Na]+ 319.06088 177.3
[M-H]- 295.06438 176.9
[M+NH4]+ 314.10548 176.4
[M+K]+ 335.03482 172.7
[M+H-H2O]+ 279.06892 156.6
[M+HCOO]- 341.06986 183.5
[M+CH3COO]- 355.08551 177.9
[M+Na-2H]- 317.04633 171.1
[M]+ 296.07111 170.8
[M]- 296.07221 170.8
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