CID 16429495

4-(4-(allyloxy)benzoyl)-3-ho-1-(2-methoxyethyl)-5-ph-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H23NO5
SMILES
COCCN1C(/C(=C(\C2=CC=C(C=C2)OCC=C)/O)/C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO5/c1-3-14-29-18-11-9-17(10-12-18)21(25)19-20(16-7-5-4-6-8-16)24(13-15-28-2)23(27)22(19)26/h3-12,20,25H,1,13-15H2,2H3/b21-19-
InChIKey
SSDPGJDAHOUBJO-VZCXRCSSSA-N
Compound name
(4Z)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 193.7
[M+Na]+ 416.14684 199.7
[M-H]- 392.15034 200.7
[M+NH4]+ 411.19144 204.3
[M+K]+ 432.12078 194.2
[M+H-H2O]+ 376.15488 184.5
[M+HCOO]- 438.15582 212.0
[M+CH3COO]- 452.17147 219.1
[M+Na-2H]- 414.13229 190.0
[M]+ 393.15707 195.4
[M]- 393.15817 195.4
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.