CID 738743

4-(2,4-dimethoxybenzylidene)-2-phenyl-2-oxazolin-5-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
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

patents stripe