CID 2754298

Dtxsid7068186

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC1=NC(=CC2=CC(=C(C=C2)OC(=O)C)OC)C(=O)O1
InChI
InChI=1S/C14H13NO5/c1-8-15-11(14(17)19-8)6-10-4-5-12(20-9(2)16)13(7-10)18-3/h4-7H,1-3H3
InChIKey
VRLBAMQNHIJOSI-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(2-methyl-5-oxo-1,3-oxazol-4-ylidene)methyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

275.07938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 160.4
[M+Na]+ 298.06860 172.5
[M+NH4]+ 293.11320 165.9
[M+K]+ 314.04254 169.9
[M-H]- 274.07210 162.6
[M+Na-2H]- 296.05405 164.5
[M]+ 275.07883 162.5
[M]- 275.07993 162.5
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