CID 3983047

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

Structural Information

Molecular Formula
C26H31ClN2O4
SMILES
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)Cl)O)C
InChI
InChI=1S/C26H31ClN2O4/c1-5-6-15-33-21-12-9-19(16-17(21)2)24(30)22-23(18-7-10-20(27)11-8-18)29(14-13-28(3)4)26(32)25(22)31/h7-12,16,23,30H,5-6,13-15H2,1-4H3
InChIKey
NUJFSZIOAZGBQK-UHFFFAOYSA-N
Compound name
4-[(4-butoxy-3-methylphenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.19724 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.20452 215.6
[M+Na]+ 493.18646 227.4
[M+NH4]+ 488.23106 220.5
[M+K]+ 509.16040 221.9
[M-H]- 469.18996 219.5
[M+Na-2H]- 491.17191 219.6
[M]+ 470.19669 218.4
[M]- 470.19779 218.4
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.