CID 3061572

1-(3-(2-chlorophenyl)-3-(3-methoxyphenyl)oxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
COC1=CC=CC(=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H15ClN2O2/c1-22-14-6-4-5-13(11-14)18(15-7-2-3-8-16(15)19)17(23-18)21-10-9-20-12-21/h2-12,17H,1H3
InChIKey
BXNYWQXQFMZVPG-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(3-methoxyphenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.0822 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 176.6
[M+Na]+ 349.07142 195.4
[M+NH4]+ 344.11602 187.3
[M+K]+ 365.04536 187.7
[M-H]- 325.07492 191.4
[M+Na-2H]- 347.05687 190.9
[M]+ 326.08165 185.4
[M]- 326.08275 185.4
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