CID 3859101

4-(4-butoxy-3-methylbenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C26H32N2O4
SMILES
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CC=C3)O)C
InChI
InChI=1S/C26H32N2O4/c1-5-6-16-32-21-13-12-20(17-18(21)2)24(29)22-23(19-10-8-7-9-11-19)28(15-14-27(3)4)26(31)25(22)30/h7-13,17,23,29H,5-6,14-16H2,1-4H3
InChIKey
CURLXSAHDHKGQA-UHFFFAOYSA-N
Compound name
4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2362 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24348 209.8
[M+Na]+ 459.22542 220.4
[M+NH4]+ 454.27002 214.4
[M+K]+ 475.19936 215.7
[M-H]- 435.22892 213.6
[M+Na-2H]- 457.21087 214.0
[M]+ 436.23565 212.1
[M]- 436.23675 212.1
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.