CID 3310600

1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-5-(thiophen-2-yl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C24H30N2O4S
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O)OCC(C)C
InChI
InChI=1S/C24H30N2O4S/c1-15(2)14-30-18-9-8-17(13-16(18)3)22(27)20-21(19-7-6-12-31-19)26(11-10-25(4)5)24(29)23(20)28/h6-9,12-13,15,21,27H,10-11,14H2,1-5H3
InChIKey
COPGVQXULAJAAS-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.19263 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.19991 209.1
[M+Na]+ 465.18185 217.1
[M+NH4]+ 460.22645 213.9
[M+K]+ 481.15579 214.0
[M-H]- 441.18535 212.0
[M+Na-2H]- 463.16730 211.4
[M]+ 442.19208 211.1
[M]- 442.19318 211.1
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.

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No patent data available for this compound.