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 200.2
[M+Na]+ 430.16250 211.5
[M+NH4]+ 425.20710 204.5
[M+K]+ 446.13644 206.5
[M-H]- 406.16600 202.7
[M+Na-2H]- 428.14795 204.5
[M]+ 407.17273 202.1
[M]- 407.17383 202.1
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.