CID 5702459

1097-21-8

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=CC(=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H15NO4/c1-21-14-8-12(9-15(11-14)22-2)10-16-18(20)23-17(19-16)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-10-
InChIKey
ZBJVMNKSVRSROR-YBEGLDIGSA-N
Compound name
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.9
[M+Na]+ 332.08932 185.9
[M+NH4]+ 327.13392 178.0
[M+K]+ 348.06326 180.7
[M-H]- 308.09282 176.9
[M+Na-2H]- 330.07477 179.0
[M]+ 309.09955 174.8
[M]- 309.10065 174.8
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

No patent data available for this compound.