CID 478299

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

Structural Information

Molecular Formula
C30H36N2O3S2
SMILES
CN(CCC(CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H36N2O3S2/c1-31(37(34,35)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)24-36(33)29-15-9-8-14-28(29)30/h2-15,26H,16-24H2,1H3
InChIKey
IESJQFSERQCVSI-UHFFFAOYSA-N
Compound name
N-methyl-N-[5-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-3-phenylpentyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.21674 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.22402 227.1
[M+Na]+ 559.20596 230.0
[M-H]- 535.20946 236.4
[M+NH4]+ 554.25056 236.0
[M+K]+ 575.17990 223.8
[M+H-H2O]+ 519.21400 217.8
[M+HCOO]- 581.21494 232.6
[M+CH3COO]- 595.23059 232.4
[M+Na-2H]- 557.19141 227.4
[M]+ 536.21619 228.1
[M]- 536.21729 228.1
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.