CID 478476

N-[(2s)-2-(3-chlorophenyl)-4-[methyl(3-phenylpropyl)amino]butyl]-n-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C27H33ClN2O2S
SMILES
CN(CCCC1=CC=CC=C1)CC[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C27H33ClN2O2S/c1-29(19-10-13-23-11-5-3-6-12-23)20-18-25(24-14-9-15-26(28)21-24)22-30(2)33(31,32)27-16-7-4-8-17-27/h3-9,11-12,14-17,21,25H,10,13,18-20,22H2,1-2H3/t25-/m1/s1
InChIKey
IMMBDWHGATWZHT-RUZDIDTESA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-[methyl(3-phenylpropyl)amino]butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.19513 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.20241 218.5
[M+Na]+ 507.18435 221.2
[M-H]- 483.18785 229.0
[M+NH4]+ 502.22895 227.0
[M+K]+ 523.15829 215.3
[M+H-H2O]+ 467.19239 208.0
[M+HCOO]- 529.19333 231.2
[M+CH3COO]- 543.20898 244.4
[M+Na-2H]- 505.16980 218.3
[M]+ 484.19458 225.7
[M]- 484.19568 225.7
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.