CID 5793743

4-[4-(allyloxy)benzoyl]-3-hydroxy-5-(4-methoxyphenyl)-1-(3-methoxypropyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C25H27NO6
SMILES
COCCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H27NO6/c1-4-15-32-20-12-8-18(9-13-20)23(27)21-22(17-6-10-19(31-3)11-7-17)26(14-5-16-30-2)25(29)24(21)28/h4,6-13,22,27H,1,5,14-16H2,2-3H3/b23-21+
InChIKey
BOCDDGLRSDFPBA-XTQSDGFTSA-N
Compound name
(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methoxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.18384 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19112 204.6
[M+Na]+ 460.17306 210.2
[M-H]- 436.17656 211.5
[M+NH4]+ 455.21766 213.5
[M+K]+ 476.14700 205.2
[M+H-H2O]+ 420.18110 195.1
[M+HCOO]- 482.18204 222.3
[M+CH3COO]- 496.19769 228.5
[M+Na-2H]- 458.15851 199.5
[M]+ 437.18329 208.7
[M]- 437.18439 208.7
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.