CID 3047800

Odalprofen

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC(C1=CC(=CC=C1)C(C2=CC=CC=C2)N3C=CN=C3)C(=O)OC
InChI
InChI=1S/C20H20N2O2/c1-15(20(23)24-2)17-9-6-10-18(13-17)19(22-12-11-21-14-22)16-7-4-3-5-8-16/h3-15,19H,1-2H3
InChIKey
YRSBGQIQVSGCJT-UHFFFAOYSA-N
Compound name
methyl 2-[3-[imidazol-1-yl(phenyl)methyl]phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

320.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 176.8
[M+Na]+ 343.14169 182.1
[M-H]- 319.14519 183.7
[M+NH4]+ 338.18629 189.1
[M+K]+ 359.11563 178.1
[M+H-H2O]+ 303.14973 166.5
[M+HCOO]- 365.15067 196.2
[M+CH3COO]- 379.16632 207.3
[M+Na-2H]- 341.12714 177.2
[M]+ 320.15192 177.6
[M]- 320.15302 177.6
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

No patent data available for this compound.