CID 695239

18692-68-7

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-XNTDXEJSSA-N
Compound name
[2-methoxy-4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
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 177.1
[M+Na]+ 360.08425 191.1
[M+NH4]+ 355.12885 183.0
[M+K]+ 376.05819 186.9
[M-H]- 336.08775 182.1
[M+Na-2H]- 358.06970 184.1
[M]+ 337.09448 180.4
[M]- 337.09558 180.4
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

patents stripe