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 183.1
[M+Na]+ 377.06634 200.9
[M+NH4]+ 372.11094 192.7
[M+K]+ 393.04028 194.2
[M-H]- 353.06984 197.0
[M+Na-2H]- 375.05179 196.4
[M]+ 354.07657 191.4
[M]- 354.07767 191.4
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