CID 5481862

10-{(3s)-3-(4-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1,1-dione

Structural Information

Molecular Formula
C29H33ClN2O4S2
SMILES
CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)C3=CC=CC=C23)C4=CC=C(C=C4)Cl)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H33ClN2O4S2/c1-31(38(35,36)26-7-3-2-4-8-26)21-24(23-11-13-25(30)14-12-23)15-18-32-19-16-29(17-20-32)22-37(33,34)28-10-6-5-9-27(28)29/h2-14,24H,15-22H2,1H3/t24-/m1/s1
InChIKey
RADZHIIFUYSWPR-XMMPIXPASA-N
Compound name
N-[(2S)-2-(4-chlorophenyl)-4-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.15704 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.16432 231.3
[M+Na]+ 595.14626 236.6
[M-H]- 571.14976 241.4
[M+NH4]+ 590.19086 241.7
[M+K]+ 611.12020 230.6
[M+H-H2O]+ 555.15430 223.3
[M+HCOO]- 617.15524 233.1
[M+CH3COO]- 631.17089 237.2
[M+Na-2H]- 593.13171 233.4
[M]+ 572.15649 236.0
[M]- 572.15759 236.0
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.