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 187.7
[M+Na]+ 383.17638 190.7
[M-H]- 359.17988 195.8
[M+NH4]+ 378.22098 200.7
[M+K]+ 399.15032 188.0
[M+H-H2O]+ 343.18442 178.2
[M+HCOO]- 405.18536 205.9
[M+CH3COO]- 419.20101 223.8
[M+Na-2H]- 381.16183 189.1
[M]+ 360.18661 192.3
[M]- 360.18771 192.3
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.