CID 5726353

Stk574862

Structural Information

Molecular Formula
C22H23NO6
SMILES
COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCCO)OC
InChI
InChI=1S/C22H23NO6/c1-28-16-10-9-15(13-17(16)29-2)19-18(20(25)14-7-4-3-5-8-14)21(26)22(27)23(19)11-6-12-24/h3-5,7-10,13,19,24-25H,6,11-12H2,1-2H3/b20-18+
InChIKey
CVZMBSLMQHRGEH-CZIZESTLSA-N
Compound name
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.15253 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 192.8
[M+Na]+ 420.14175 199.1
[M-H]- 396.14525 199.0
[M+NH4]+ 415.18635 202.8
[M+K]+ 436.11569 194.6
[M+H-H2O]+ 380.14979 184.1
[M+HCOO]- 442.15073 209.9
[M+CH3COO]- 456.16638 218.3
[M+Na-2H]- 418.12720 188.8
[M]+ 397.15198 194.9
[M]- 397.15308 194.9
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.