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 198.8
[M+Na]+ 429.17849 203.7
[M-H]- 405.18199 207.0
[M+NH4]+ 424.22309 209.2
[M+K]+ 445.15243 198.8
[M+H-H2O]+ 389.18653 189.1
[M+HCOO]- 451.18747 218.2
[M+CH3COO]- 465.20312 228.3
[M+Na-2H]- 427.16394 194.4
[M]+ 406.18872 200.0
[M]- 406.18982 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.