CID 4614

Oxaprozin

Structural Information

Molecular Formula

C₁₈H₁₅NO₃

SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)

InChIKey

OFPXSFXSNFPTHF-UHFFFAOYSA-N

Compound name

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 230
References: 74821
Patents: 293.1052 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.11248	167.0
[M+Na]+	316.09442	174.4
[M-H]-	292.09792	175.1
[M+NH4]+	311.13902	180.2
[M+K]+	332.06836	170.8
[M+H-H2O]+	276.10246	158.4
[M+HCOO]-	338.10340	188.3
[M+CH3COO]-	352.11905	178.7
[M+Na-2H]-	314.07987	170.3
[M]+	293.10465	168.6
[M]-	293.10575	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe