CID 478313

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

Structural Information

Molecular Formula
C30H36N2O4S2
SMILES
CC(CCN1CCC2(CC1)CS(=O)(=O)C3=CC=CC=C23)(CN(C)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H36N2O4S2/c1-29(25-11-5-3-6-12-25,23-31(2)38(35,36)26-13-7-4-8-14-26)17-20-32-21-18-30(19-22-32)24-37(33,34)28-16-10-9-15-27(28)30/h3-16H,17-24H2,1-2H3
InChIKey
HXJHYYYSRXVDBW-UHFFFAOYSA-N
Compound name
N-[4-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-2-methyl-2-phenylbutyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.2117 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.21898 231.7
[M+Na]+ 575.20092 235.9
[M-H]- 551.20442 241.0
[M+NH4]+ 570.24552 241.7
[M+K]+ 591.17486 230.6
[M+H-H2O]+ 535.20896 222.8
[M+HCOO]- 597.20990 237.0
[M+CH3COO]- 611.22555 245.6
[M+Na-2H]- 573.18637 236.4
[M]+ 552.21115 233.9
[M]- 552.21225 233.9
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.