CID 5481728

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

Structural Information

Molecular Formula
C24H27ClN2O2S
SMILES
CN(C[C@@H](CCNCC1=CC=CC=C1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H27ClN2O2S/c1-27(30(28,29)24-13-6-3-7-14-24)19-22(21-11-8-12-23(25)17-21)15-16-26-18-20-9-4-2-5-10-20/h2-14,17,22,26H,15-16,18-19H2,1H3/t22-/m1/s1
InChIKey
LKHWYHCPILAMQI-JOCHJYFZSA-N
Compound name
N-[(2S)-4-(benzylamino)-2-(3-chlorophenyl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14816 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.15544 205.1
[M+Na]+ 465.13738 209.2
[M-H]- 441.14088 214.8
[M+NH4]+ 460.18198 214.9
[M+K]+ 481.11132 202.4
[M+H-H2O]+ 425.14542 195.6
[M+HCOO]- 487.14636 218.5
[M+CH3COO]- 501.16201 232.7
[M+Na-2H]- 463.12283 207.1
[M]+ 442.14761 210.1
[M]- 442.14871 210.1
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.