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 208.3
[M+Na]+ 477.19962 214.5
[M-H]- 453.20312 217.4
[M+NH4]+ 472.24422 217.4
[M+K]+ 493.17356 211.9
[M+H-H2O]+ 437.20766 198.9
[M+HCOO]- 499.20860 227.3
[M+CH3COO]- 513.22425 240.4
[M+Na-2H]- 475.18507 202.0
[M]+ 454.20985 214.6
[M]- 454.21095 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.