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]+ 299.14238 159.4
[M+Na]+ 321.12432 166.0
[M-H]- 297.12782 165.1
[M+NH4]+ 316.16892 169.2
[M+K]+ 337.09826 160.8
[M+H-H2O]+ 281.13236 152.6
[M+HCOO]- 343.13330 176.5
[M+CH3COO]- 357.14895 206.5
[M+Na-2H]- 319.10977 162.1
[M]+ 298.13455 163.6
[M]- 298.13565 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.