CID 5945050

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

Structural Information

Molecular Formula
C25H30N2O6
SMILES
CC1=C(C=CC(=C1)OC)/C(=C/2\C(N(C(=O)C2=O)CCN(C)C)C3=C(C=C(C=C3)OC)OC)/O
InChI
InChI=1S/C25H30N2O6/c1-15-13-16(31-4)7-9-18(15)23(28)21-22(19-10-8-17(32-5)14-20(19)33-6)27(12-11-26(2)3)25(30)24(21)29/h7-10,13-14,22,28H,11-12H2,1-6H3/b23-21-
InChIKey
RCDRZEKPDFQYNA-LNVKXUELSA-N
Compound name
(4Z)-5-(2,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2104 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.21768 210.8
[M+Na]+ 477.19962 221.3
[M+NH4]+ 472.24422 214.3
[M+K]+ 493.17356 218.4
[M-H]- 453.20312 213.8
[M+Na-2H]- 475.18507 213.9
[M]+ 454.20985 212.7
[M]- 454.21095 212.7
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.