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 217.1
[M+Na]+ 522.16692 220.0
[M-H]- 498.17042 227.0
[M+NH4]+ 517.21152 220.7
[M+K]+ 538.14086 216.9
[M+H-H2O]+ 482.17496 207.6
[M+HCOO]- 544.17590 225.3
[M+CH3COO]- 558.19155 239.7
[M+Na-2H]- 520.15237 212.9
[M]+ 499.17715 217.0
[M]- 499.17825 217.0
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.