CID 3061557

1-(3-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C17H11Cl3N2O
SMILES
C1=CC(=CC=C1C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O/c18-12-3-1-11(2-4-12)17(14-6-5-13(19)9-15(14)20)16(23-17)22-8-7-21-10-22/h1-10,16H
InChIKey
IYJXPFYHLXULDM-UHFFFAOYSA-N
Compound name
1-[3-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.99368 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00096 174.3
[M+Na]+ 386.98290 186.6
[M-H]- 362.98640 183.0
[M+NH4]+ 382.02750 183.0
[M+K]+ 402.95684 180.8
[M+H-H2O]+ 346.99094 165.4
[M+HCOO]- 408.99188 181.2
[M+CH3COO]- 423.00753 184.7
[M+Na-2H]- 384.96835 176.3
[M]+ 363.99313 180.9
[M]- 363.99423 180.9
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