CID 3870964

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

Structural Information

Molecular Formula
C31H34N2O4
SMILES
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C(=O)N2CCN(C)C
InChI
InChI=1S/C31H34N2O4/c1-5-22-11-13-24(14-12-22)28-27(30(35)31(36)33(28)18-17-32(3)4)29(34)25-15-16-26(21(2)19-25)37-20-23-9-7-6-8-10-23/h6-16,19,28,34H,5,17-18,20H2,1-4H3
InChIKey
VYMJSXTXJCSUIY-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-5-(4-ethylphenyl)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.25186 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.25914 225.4
[M+Na]+ 521.24108 229.5
[M-H]- 497.24458 236.5
[M+NH4]+ 516.28568 231.8
[M+K]+ 537.21502 223.8
[M+H-H2O]+ 481.24912 213.9
[M+HCOO]- 543.25006 243.1
[M+CH3COO]- 557.26571 248.1
[M+Na-2H]- 519.22653 218.1
[M]+ 498.25131 227.5
[M]- 498.25241 227.5
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.