CID 695240

Acetic acid 2-methoxy-4-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester

Structural Information

Molecular Formula
C19H15NO5
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H15NO5/c1-12(21)24-16-9-8-13(11-17(16)23-2)10-15-19(22)25-18(20-15)14-6-4-3-5-7-14/h3-11H,1-2H3/b15-10-
InChIKey
WZSKLTVIGWVEKR-GDNBJRDFSA-N
Compound name
[2-methoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

337.09503 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe