CID 478402

8-{(3s)-3-(3-chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}-2,8-diaza-4-phenylspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C31H36ClN3O3S
SMILES
CN(C[C@@H](CCN1CCC2(CC1)C(CNC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C31H36ClN3O3S/c1-34(39(37,38)28-13-6-3-7-14-28)23-26(25-11-8-12-27(32)21-25)15-18-35-19-16-31(17-20-35)29(22-33-30(31)36)24-9-4-2-5-10-24/h2-14,21,26,29H,15-20,22-23H2,1H3,(H,33,36)/t26-,29?/m1/s1
InChIKey
ACIUCWTYVXOVHY-QZWVJJBASA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(1-oxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.2166 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.22388 233.9
[M+Na]+ 588.20582 236.0
[M-H]- 564.20932 243.8
[M+NH4]+ 583.25042 238.8
[M+K]+ 604.17976 228.7
[M+H-H2O]+ 548.21386 222.7
[M+HCOO]- 610.21480 236.7
[M+CH3COO]- 624.23045 238.1
[M+Na-2H]- 586.19127 230.6
[M]+ 565.21605 232.6
[M]- 565.21715 232.6
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.