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]+ 407.196546 198.8
[M+Na]+ 429.178488 203.7
[M-H]- 405.181994 207.0
[M+NH4]+ 424.223093 209.2
[M+K]+ 445.152428 198.8
[M+H-H2O]+ 389.186530 189.1
[M+HCOO]- 451.187471 218.2
[M+CH3COO]- 465.203121 228.3
[M+Na-2H]- 427.163936 194.4
[M]+ 406.18872142 200.0
[M]- 406.18981858 200.0
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.