CID 478305

10-{5-[methyl(phenylsulfonyl)amino]-3-phenylpentyl}spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-1,1-dione

Structural Information

Molecular Formula
C30H36N2O4S2
SMILES
CN(CCC(CCN1CCC2(CC1)CS(=O)(=O)C3=CC=CC=C23)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H36N2O4S2/c1-31(38(35,36)27-12-6-3-7-13-27)20-16-26(25-10-4-2-5-11-25)17-21-32-22-18-30(19-23-32)24-37(33,34)29-15-9-8-14-28(29)30/h2-15,26H,16-24H2,1H3
InChIKey
UIBPYVCVYYIEQS-UHFFFAOYSA-N
Compound name
N-[5-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-3-phenylpentyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.2117 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.21898 230.4
[M+Na]+ 575.20092 233.9
[M-H]- 551.20442 239.6
[M+NH4]+ 570.24552 240.3
[M+K]+ 591.17486 228.4
[M+H-H2O]+ 535.20896 221.2
[M+HCOO]- 597.20990 236.0
[M+CH3COO]- 611.22555 235.7
[M+Na-2H]- 573.18637 232.7
[M]+ 552.21115 232.5
[M]- 552.21225 232.5
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.