CID 1552774

Nsc204917

Structural Information

Molecular Formula
C20H17NO4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C20H17NO4/c1-23-17-10-8-15(13-18(17)24-2)12-16-20(22)25-19(21-16)11-9-14-6-4-3-5-7-14/h3-13H,1-2H3/b11-9+,16-12-
InChIKey
FVLRJBWDMNFTAE-VKSNPQIYSA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.11575 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 178.4
[M+Na]+ 358.10497 187.1
[M-H]- 334.10847 188.0
[M+NH4]+ 353.14957 191.1
[M+K]+ 374.07891 183.0
[M+H-H2O]+ 318.11301 169.4
[M+HCOO]- 380.11395 200.6
[M+CH3COO]- 394.12960 208.1
[M+Na-2H]- 356.09042 179.8
[M]+ 335.11520 182.4
[M]- 335.11630 182.4
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

No patent data available for this compound.