CID 5940808

618077-24-0

Structural Information

Molecular Formula
C24H25NO5
SMILES
COCCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C24H25NO5/c1-3-15-30-19-12-10-18(11-13-19)22(26)20-21(17-8-5-4-6-9-17)25(14-7-16-29-2)24(28)23(20)27/h3-6,8-13,21,26H,1,7,14-16H2,2H3/b22-20+
InChIKey
MKBSGFXWBDDTHE-LSDHQDQOSA-N
Compound name
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.180556 198.1
[M+Na]+ 430.162498 203.6
[M-H]- 406.166004 204.9
[M+NH4]+ 425.207103 208.1
[M+K]+ 446.136438 198.0
[M+H-H2O]+ 390.170540 188.7
[M+HCOO]- 452.171481 216.1
[M+CH3COO]- 466.187131 222.1
[M+Na-2H]- 428.147946 193.9
[M]+ 407.17273142 200.1
[M]- 407.17382858 200.1
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.