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 215.9
[M+Na]+ 493.18646 222.2
[M-H]- 469.18996 224.3
[M+NH4]+ 488.23106 225.3
[M+K]+ 509.16040 216.0
[M+H-H2O]+ 453.19450 206.9
[M+HCOO]- 515.19544 229.8
[M+CH3COO]- 529.21109 240.8
[M+Na-2H]- 491.17191 208.7
[M]+ 470.19669 221.7
[M]- 470.19779 221.7
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.