CID 2912312

1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[4-(morpholine-4-sulfonyl)benzoyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C25H29N3O6S
SMILES
CN(C)CCN1C(C(=C(C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O)C(=O)C1=O)C4=CC=CC=C4
InChI
InChI=1S/C25H29N3O6S/c1-26(2)12-13-28-22(18-6-4-3-5-7-18)21(24(30)25(28)31)23(29)19-8-10-20(11-9-19)35(32,33)27-14-16-34-17-15-27/h3-11,22,29H,12-17H2,1-2H3
InChIKey
RPRBAMGESVXUSF-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

499.1777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.18498 213.3
[M+Na]+ 522.16692 222.1
[M+NH4]+ 517.21152 216.5
[M+K]+ 538.14086 218.8
[M-H]- 498.17042 217.9
[M+Na-2H]- 520.15237 217.8
[M]+ 499.17715 215.9
[M]- 499.17825 215.9
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.