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

0
References

0
Patents

337.09503 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10231 176.4
[M+Na]+ 360.08425 185.0
[M-H]- 336.08775 186.3
[M+NH4]+ 355.12885 188.9
[M+K]+ 376.05819 182.4
[M+H-H2O]+ 320.09229 167.6
[M+HCOO]- 382.09323 198.2
[M+CH3COO]- 396.10888 208.3
[M+Na-2H]- 358.06970 177.4
[M]+ 337.09448 180.9
[M]- 337.09558 180.9
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.