CID 3251598

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C26H32N2O5
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=C(C=C3)O)O)OCC(C)C
InChI
InChI=1S/C26H32N2O5/c1-16(2)15-33-21-11-8-19(14-17(21)3)24(30)22-23(18-6-9-20(29)10-7-18)28(13-12-27(4)5)26(32)25(22)31/h6-11,14,16,23,29-30H,12-13,15H2,1-5H3
InChIKey
DLZHEGKOFYIMNZ-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.2311 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23838 212.1
[M+Na]+ 475.22032 221.6
[M+NH4]+ 470.26492 215.6
[M+K]+ 491.19426 218.9
[M-H]- 451.22382 214.8
[M+Na-2H]- 473.20577 214.7
[M]+ 452.23055 213.7
[M]- 452.23165 213.7
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.