CID 6172389

4-(2-acetoxy-3-methoxybenzylidene)-2-phenyl-2-oxazolin-5-one

Structural Information

Molecular Formula

C₁₉H₁₅NO₅

SMILES

CC(=O)OC1=C(C=CC=C1OC)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H15NO5/c1-12(21)24-17-14(9-6-10-16(17)23-2)11-15-19(22)25-18(20-15)13-7-4-3-5-8-13/h3-11H,1-2H3/b15-11+

InChIKey

YRYGCRZQWRIKDF-RVDMUPIBSA-N

Compound name

[2-methoxy-6-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 337.09503 Da
Monoisotopic Mass: 3.3
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]+	338.102306	176.4
[M+Na]+	360.084248	185.0
[M-H]-	336.087754	186.3
[M+NH4]+	355.128853	188.9
[M+K]+	376.058188	182.4
[M+H-H2O]+	320.092290	167.6
[M+HCOO]-	382.093231	198.2
[M+CH3COO]-	396.108881	208.3
[M+Na-2H]-	358.069696	177.4
[M]+	337.09448142	180.9
[M]-	337.09557858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.