CID 24837903

N-(2-(methylphenethylamino)propyl)ethanesulfonanilide

Structural Information

Molecular Formula
C20H28N2O2S
SMILES
CCS(=O)(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2O2S/c1-4-25(23,24)22(20-13-9-6-10-14-20)17-18(2)21(3)16-15-19-11-7-5-8-12-19/h5-14,18H,4,15-17H2,1-3H3
InChIKey
BQVKCRWSPYNEBB-UHFFFAOYSA-N
Compound name
N-[2-[methyl(2-phenylethyl)amino]propyl]-N-phenylethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18716 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19444 185.8
[M+Na]+ 383.17638 196.0
[M+NH4]+ 378.22098 193.0
[M+K]+ 399.15032 187.7
[M-H]- 359.17988 190.5
[M+Na-2H]- 381.16183 193.9
[M]+ 360.18661 189.0
[M]- 360.18771 189.0
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.