CID 2754298

39600-31-2

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 158.2
[M+Na]+ 298.06860 167.8
[M-H]- 274.07210 165.3
[M+NH4]+ 293.11320 173.9
[M+K]+ 314.04254 166.8
[M+H-H2O]+ 258.07664 151.3
[M+HCOO]- 320.07758 180.4
[M+CH3COO]- 334.09323 197.2
[M+Na-2H]- 296.05405 160.0
[M]+ 275.07883 163.8
[M]- 275.07993 163.8
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