CID 478312

N-methyl-n-[2-methyl-4-(1-oxospiro[2h-benzothiophene-3,4'-piperidine]-1'-yl)-2-phenyl-butyl]benzenesulfonamide

Structural Information

Molecular Formula
C30H36N2O3S2
SMILES
CC(CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)(CN(C)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H36N2O3S2/c1-29(25-11-5-3-6-12-25,23-31(2)37(34,35)26-13-7-4-8-14-26)17-20-32-21-18-30(19-22-32)24-36(33)28-16-10-9-15-27(28)30/h3-16H,17-24H2,1-2H3
InChIKey
SYJJCMKYFGPPDK-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-methyl-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-2-phenylbutyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.21674 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.22402 228.5
[M+Na]+ 559.20596 232.0
[M-H]- 535.20946 237.9
[M+NH4]+ 554.25056 237.5
[M+K]+ 575.17990 225.9
[M+H-H2O]+ 519.21400 219.4
[M+HCOO]- 581.21494 233.5
[M+CH3COO]- 595.23059 233.9
[M+Na-2H]- 557.19141 230.9
[M]+ 536.21619 229.5
[M]- 536.21729 229.5
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.