CID 5481729

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

Structural Information

Molecular Formula
C27H33ClN2O2S
SMILES
CN(C[C@@H](CCNCCCCC1=CC=CC=C1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H33ClN2O2S/c1-30(33(31,32)27-16-6-3-7-17-27)22-25(24-14-10-15-26(28)21-24)18-20-29-19-9-8-13-23-11-4-2-5-12-23/h2-7,10-12,14-17,21,25,29H,8-9,13,18-20,22H2,1H3/t25-/m1/s1
InChIKey
FRIBPQJUXFQXGX-RUZDIDTESA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylbutylamino)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.19513 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.20241 217.8
[M+Na]+ 507.18435 220.5
[M-H]- 483.18785 226.9
[M+NH4]+ 502.22895 225.8
[M+K]+ 523.15829 213.1
[M+H-H2O]+ 467.19239 207.6
[M+HCOO]- 529.19333 230.2
[M+CH3COO]- 543.20898 241.3
[M+Na-2H]- 505.16980 218.4
[M]+ 484.19458 223.7
[M]- 484.19568 223.7
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.