CID 478303

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

Structural Information

Molecular Formula
C27H30N2O4S2
SMILES
CN(CC(C1=CC=CC=C1)N2CCC3(CC2)CS(=O)(=O)C4=CC=CC=C34)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H30N2O4S2/c1-28(35(32,33)23-12-6-3-7-13-23)20-25(22-10-4-2-5-11-22)29-18-16-27(17-19-29)21-34(30,31)26-15-9-8-14-24(26)27/h2-15,25H,16-21H2,1H3
InChIKey
OELWIUIMRPZSKO-UHFFFAOYSA-N
Compound name
N-[2-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)-2-phenylethyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.1647 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.17198 219.2
[M+Na]+ 533.15392 224.3
[M-H]- 509.15742 229.2
[M+NH4]+ 528.19852 230.9
[M+K]+ 549.12786 219.2
[M+H-H2O]+ 493.16196 210.6
[M+HCOO]- 555.16290 225.9
[M+CH3COO]- 569.17855 225.9
[M+Na-2H]- 531.13937 222.8
[M]+ 510.16415 220.6
[M]- 510.16525 220.6
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.