CID 16429353

4-(3,4-dimethoxybenzoyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H25N3O7
SMILES
CN(C)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC)OC)/O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H25N3O7/c1-24(2)11-12-25-20(14-5-8-16(9-6-14)26(30)31)19(22(28)23(25)29)21(27)15-7-10-17(32-3)18(13-15)33-4/h5-10,13,20,27H,11-12H2,1-4H3/b21-19-
InChIKey
UATOXPBTYWTRDT-VZCXRCSSSA-N
Compound name
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.16925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17653 206.4
[M+Na]+ 478.15847 210.1
[M-H]- 454.16197 215.1
[M+NH4]+ 473.20307 213.8
[M+K]+ 494.13241 203.6
[M+H-H2O]+ 438.16651 201.2
[M+HCOO]- 500.16745 226.5
[M+CH3COO]- 514.18310 231.7
[M+Na-2H]- 476.14392 204.4
[M]+ 455.16870 208.2
[M]- 455.16980 208.2
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.