CID 478416

((2s)-2-(3-chlorophenyl)-4-{4-[(phenylmethoxy)methyl]piperidyl}butyl)methyl(phenylsulfonyl)amine

Structural Information

Molecular Formula
C30H37ClN2O3S
SMILES
CN(C[C@@H](CCN1CCC(CC1)COCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H37ClN2O3S/c1-32(37(34,35)30-13-6-3-7-14-30)22-28(27-11-8-12-29(31)21-27)17-20-33-18-15-26(16-19-33)24-36-23-25-9-4-2-5-10-25/h2-14,21,26,28H,15-20,22-24H2,1H3/t28-/m1/s1
InChIKey
STOSYPMDGWEODH-MUUNZHRXSA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-[4-(phenylmethoxymethyl)piperidin-1-yl]butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2213 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.22858 229.2
[M+Na]+ 563.21052 230.1
[M-H]- 539.21402 238.9
[M+NH4]+ 558.25512 233.0
[M+K]+ 579.18446 223.4
[M+H-H2O]+ 523.21856 217.1
[M+HCOO]- 585.21950 235.5
[M+CH3COO]- 599.23515 247.7
[M+Na-2H]- 561.19597 227.4
[M]+ 540.22075 232.0
[M]- 540.22185 232.0
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.