CID 3061542

1-(3-(2,4-dichlorophenyl)-3-phenyloxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-13-6-7-14(15(19)10-13)17(12-4-2-1-3-5-12)16(22-17)21-9-8-20-11-21/h1-11,16H
InChIKey
UUVLPUVRCFHDBU-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.03265 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03993 170.3
[M+Na]+ 353.02187 182.5
[M-H]- 329.02537 180.5
[M+NH4]+ 348.06647 180.2
[M+K]+ 368.99581 177.0
[M+H-H2O]+ 313.02991 161.3
[M+HCOO]- 375.03085 182.8
[M+CH3COO]- 389.04650 181.7
[M+Na-2H]- 351.00732 174.1
[M]+ 330.03210 176.7
[M]- 330.03320 176.7
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