CID 707080

2-phenyl-4-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-5(4h)-one

Structural Information

Molecular Formula
C19H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO5/c1-22-15-10-12(11-16(23-2)17(15)24-3)9-14-19(21)25-18(20-14)13-7-5-4-6-8-13/h4-11H,1-3H3/b14-9-
InChIKey
HICJFGUVXOQAFR-ZROIWOOFSA-N
Compound name
(4Z)-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

literature stripe

Patent stripe

patents stripe