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]+ 340.11798 177.1
[M+Na]+ 362.09992 186.5
[M-H]- 338.10342 187.3
[M+NH4]+ 357.14452 189.9
[M+K]+ 378.07386 184.0
[M+H-H2O]+ 322.10796 168.3
[M+HCOO]- 384.10890 199.6
[M+CH3COO]- 398.12455 210.0
[M+Na-2H]- 360.08537 178.6
[M]+ 339.11015 183.4
[M]- 339.11125 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.