CID 5940807

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

Structural Information

Molecular Formula
C28H33NO5
SMILES
CC(C)(C)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C(=O)N2CCCOC
InChI
InChI=1S/C28H33NO5/c1-6-17-34-22-14-10-20(11-15-22)25(30)23-24(19-8-12-21(13-9-19)28(2,3)4)29(16-7-18-33-5)27(32)26(23)31/h6,8-15,24,30H,1,7,16-18H2,2-5H3/b25-23+
InChIKey
NJVXKYPNVIGPSH-WJTDDFOZSA-N
Compound name
(4E)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.23587 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.24315 215.1
[M+Na]+ 486.22509 220.0
[M-H]- 462.22859 221.8
[M+NH4]+ 481.26969 223.2
[M+K]+ 502.19903 214.4
[M+H-H2O]+ 446.23313 206.1
[M+HCOO]- 508.23407 230.0
[M+CH3COO]- 522.24972 234.9
[M+Na-2H]- 484.21054 209.6
[M]+ 463.23532 218.3
[M]- 463.23642 218.3
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.