CID 689699

109876-87-1

Structural Information

Molecular Formula
C18H15NO4
SMILES
COC1=CC(=C(C=C1)OC)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO4/c1-21-14-8-9-16(22-2)13(10-14)11-15-18(20)23-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3/b15-11+
InChIKey
HIPBGLRLKCZQDO-RVDMUPIBSA-N
Compound name
(4E)-4-[(2,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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]+ 310.107376 169.9
[M+Na]+ 332.089318 179.1
[M-H]- 308.092824 179.8
[M+NH4]+ 327.133923 183.7
[M+K]+ 348.063258 176.0
[M+H-H2O]+ 292.097360 161.2
[M+HCOO]- 354.098301 192.6
[M+CH3COO]- 368.113951 203.5
[M+Na-2H]- 330.074766 172.4
[M]+ 309.09955142 174.0
[M]- 309.10064858 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.