CID 5481719

10-{(3s)-3-(3-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[indane-2,4'-piperidine]-1-one

Structural Information

Molecular Formula
C30H33ClN2O3S
SMILES
CN(C[C@@H](CCN1CCC2(CC1)CC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H33ClN2O3S/c1-32(37(35,36)27-11-3-2-4-12-27)22-25(23-9-7-10-26(31)20-23)14-17-33-18-15-30(16-19-33)21-24-8-5-6-13-28(24)29(30)34/h2-13,20,25H,14-19,21-22H2,1H3/t25-/m1/s1
InChIKey
WFWAJHZPNTUYJG-RUZDIDTESA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(3-oxospiro[1H-indene-2,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.19006 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19734 229.7
[M+Na]+ 559.17928 233.8
[M-H]- 535.18278 240.3
[M+NH4]+ 554.22388 239.3
[M+K]+ 575.15322 227.1
[M+H-H2O]+ 519.18732 219.7
[M+HCOO]- 581.18826 235.3
[M+CH3COO]- 595.20391 235.7
[M+Na-2H]- 557.16473 228.4
[M]+ 536.18951 232.1
[M]- 536.19061 232.1
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.