CID 5481731

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

Structural Information

Molecular Formula
C28H35ClN2O2S
SMILES
CN(CCCCC1=CC=CC=C1)CC[C@H](CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C28H35ClN2O2S/c1-30(20-10-9-14-24-12-5-3-6-13-24)21-19-26(25-15-11-16-27(29)22-25)23-31(2)34(32,33)28-17-7-4-8-18-28/h3-8,11-13,15-18,22,26H,9-10,14,19-21,23H2,1-2H3/t26-/m1/s1
InChIKey
IUCJXIZYDBQFKA-AREMUKBSSA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-[methyl(4-phenylbutyl)amino]butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2108 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.21808 222.7
[M+Na]+ 521.20002 225.0
[M-H]- 497.20352 233.0
[M+NH4]+ 516.24462 230.7
[M+K]+ 537.17396 218.9
[M+H-H2O]+ 481.20806 212.1
[M+HCOO]- 543.20900 235.1
[M+CH3COO]- 557.22465 247.3
[M+Na-2H]- 519.18547 222.1
[M]+ 498.21025 230.2
[M]- 498.21135 230.2
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.