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]+ 408.18056 198.1
[M+Na]+ 430.16250 203.6
[M-H]- 406.16600 204.9
[M+NH4]+ 425.20710 208.1
[M+K]+ 446.13644 198.0
[M+H-H2O]+ 390.17054 188.7
[M+HCOO]- 452.17148 216.1
[M+CH3COO]- 466.18713 222.1
[M+Na-2H]- 428.14795 193.9
[M]+ 407.17273 200.1
[M]- 407.17383 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.