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]+ 355.08440 179.9
[M+Na]+ 377.06634 191.1
[M-H]- 353.06984 191.4
[M+NH4]+ 372.11094 188.3
[M+K]+ 393.04028 186.9
[M+H-H2O]+ 337.07438 171.1
[M+HCOO]- 399.07532 196.5
[M+CH3COO]- 413.09097 191.2
[M+Na-2H]- 375.05179 182.7
[M]+ 354.07657 187.6
[M]- 354.07767 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