CID 1549395

22892-39-3

Structural Information

Molecular Formula
C19H17NO5
SMILES
COC1=CC(=C(C=C1/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C19H17NO5/c1-22-15-11-17(24-3)16(23-2)10-13(15)9-14-19(21)25-18(20-14)12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9+
InChIKey
LSEGVWXELQGKLS-NTEUORMPSA-N
Compound name
(4E)-2-phenyl-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.117976 177.1
[M+Na]+ 362.099918 186.5
[M-H]- 338.103424 187.3
[M+NH4]+ 357.144523 189.9
[M+K]+ 378.073858 184.0
[M+H-H2O]+ 322.107960 168.3
[M+HCOO]- 384.108901 199.6
[M+CH3COO]- 398.124551 210.0
[M+Na-2H]- 360.085366 178.6
[M]+ 339.11015142 183.4
[M]- 339.11124858 183.4
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.