CID 5906856

618074-21-8

Structural Information

Molecular Formula
C24H25NO5
SMILES
CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CCOC
InChI
InChI=1S/C24H25NO5/c1-4-14-30-19-11-9-18(10-12-19)22(26)20-21(17-7-5-16(2)6-8-17)25(13-15-29-3)24(28)23(20)27/h4-12,21,26H,1,13-15H2,2-3H3/b22-20+
InChIKey
OJQSPBWZTIUPOZ-LSDHQDQOSA-N
Compound name
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-methylphenyl)pyrrolidine-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 197.7
[M+Na]+ 430.162498 204.2
[M-H]- 406.166004 204.9
[M+NH4]+ 425.207103 208.1
[M+K]+ 446.136438 198.6
[M+H-H2O]+ 390.170540 188.6
[M+HCOO]- 452.171481 215.7
[M+CH3COO]- 466.187131 223.4
[M+Na-2H]- 428.147946 192.9
[M]+ 407.17273142 200.2
[M]- 407.17382858 200.2
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.