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

2
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 169.9
[M+Na]+ 332.08932 179.1
[M-H]- 308.09282 179.8
[M+NH4]+ 327.13392 183.7
[M+K]+ 348.06326 176.0
[M+H-H2O]+ 292.09736 161.2
[M+HCOO]- 354.09830 192.6
[M+CH3COO]- 368.11395 203.5
[M+Na-2H]- 330.07477 172.4
[M]+ 309.09955 174.0
[M]- 309.10065 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.