CID 3900932

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

Structural Information

Molecular Formula
C29H30N2O4
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC=CC=C4)O
InChI
InChI=1S/C29H30N2O4/c1-20-18-23(35-19-21-10-6-4-7-11-21)14-15-24(20)27(32)25-26(22-12-8-5-9-13-22)31(17-16-30(2)3)29(34)28(25)33/h4-15,18,26,32H,16-17,19H2,1-3H3
InChIKey
JULJVUDUVIOFGY-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.22055 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.22783 216.6
[M+Na]+ 493.20977 220.8
[M-H]- 469.21327 227.8
[M+NH4]+ 488.25437 223.9
[M+K]+ 509.18371 215.4
[M+H-H2O]+ 453.21781 205.3
[M+HCOO]- 515.21875 235.1
[M+CH3COO]- 529.23440 241.0
[M+Na-2H]- 491.19522 211.1
[M]+ 470.22000 217.7
[M]- 470.22110 217.7
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.