CID 3497839

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-phenyl-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C24H26N2O4
SMILES
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C24H26N2O4/c1-4-16-30-19-12-10-18(11-13-19)22(27)20-21(17-8-6-5-7-9-17)26(15-14-25(2)3)24(29)23(20)28/h4-13,21,27H,1,14-16H2,2-3H3
InChIKey
JUBQJSXVYIYEKS-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.18927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19655 200.1
[M+Na]+ 429.17849 210.7
[M+NH4]+ 424.22309 204.7
[M+K]+ 445.15243 206.2
[M-H]- 405.18199 203.6
[M+Na-2H]- 427.16394 204.9
[M]+ 406.18872 202.2
[M]- 406.18982 202.2
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.