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]+ 455.217676 208.3
[M+Na]+ 477.199618 214.5
[M-H]- 453.203124 217.4
[M+NH4]+ 472.244223 217.4
[M+K]+ 493.173558 211.9
[M+H-H2O]+ 437.207660 198.9
[M+HCOO]- 499.208601 227.3
[M+CH3COO]- 513.224251 240.4
[M+Na-2H]- 475.185066 202.0
[M]+ 454.20985142 214.6
[M]- 454.21094858 214.6
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.