CID 3146646

4-{1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1h-pyrrole-3-carbonyl}-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C23H27N3O5S
SMILES
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)S(=O)(=O)N(C)C)O)C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C23H27N3O5S/c1-24(2)14-15-26-20(16-8-6-5-7-9-16)19(22(28)23(26)29)21(27)17-10-12-18(13-11-17)32(30,31)25(3)4/h5-13,20,27H,14-15H2,1-4H3
InChIKey
BAHGIBAFKSNECJ-UHFFFAOYSA-N
Compound name
4-[[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

457.16714 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17442 206.3
[M+Na]+ 480.15636 214.4
[M+NH4]+ 475.20096 209.9
[M+K]+ 496.13030 211.0
[M-H]- 456.15986 209.1
[M+Na-2H]- 478.14181 210.9
[M]+ 457.16659 208.2
[M]- 457.16769 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.