CID 3061586

Methyl 4-(2-(4-chlorophenyl)-3-(1h-imidazol-1-yl)oxiranyl)benzoate mononitrate

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
COC(=O)C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN2O3/c1-24-17(23)13-2-4-14(5-3-13)19(15-6-8-16(20)9-7-15)18(25-19)22-11-10-21-12-22/h2-12,18H,1H3
InChIKey
OPDGSCSFWQIIOC-UHFFFAOYSA-N
Compound name
methyl 4-[2-(4-chlorophenyl)-3-imidazol-1-yloxiran-2-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.07712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.084396 179.9
[M+Na]+ 377.066338 191.1
[M-H]- 353.069844 191.4
[M+NH4]+ 372.110943 188.3
[M+K]+ 393.040278 186.9
[M+H-H2O]+ 337.074380 171.1
[M+HCOO]- 399.075321 196.5
[M+CH3COO]- 413.090971 191.2
[M+Na-2H]- 375.051786 182.7
[M]+ 354.07657142 187.6
[M]- 354.07766858 187.6
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