CID 3041771

5'-(2-(cyclopropylamino)butyl)-2'-hydroxymethanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C14H22N2O3S
SMILES
CCC(CC1=CC(=C(C=C1)O)NS(=O)(=O)C)NC2CC2
InChI
InChI=1S/C14H22N2O3S/c1-3-11(15-12-5-6-12)8-10-4-7-14(17)13(9-10)16-20(2,18)19/h4,7,9,11-12,15-17H,3,5-6,8H2,1-2H3
InChIKey
XBPHXIOPVNHXNH-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)butyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1351 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.142376 159.4
[M+Na]+ 321.124318 166.0
[M-H]- 297.127824 165.1
[M+NH4]+ 316.168923 169.2
[M+K]+ 337.098258 160.8
[M+H-H2O]+ 281.132360 152.6
[M+HCOO]- 343.133301 176.5
[M+CH3COO]- 357.148951 206.5
[M+Na-2H]- 319.109766 162.1
[M]+ 298.13455142 163.6
[M]- 298.13564858 163.6
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.