CID 3041776

5'-(2-(cyclopropylamino)-1-ethoxyethyl)-2'-hydroxymethanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CCOC(CNC1CC1)C2=CC(=C(C=C2)O)NS(=O)(=O)C
InChI
InChI=1S/C14H22N2O4S/c1-3-20-14(9-15-11-5-6-11)10-4-7-13(17)12(8-10)16-21(2,18)19/h4,7-8,11,14-17H,3,5-6,9H2,1-2H3
InChIKey
WIOSBRUXQUGCRN-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)-1-ethoxyethyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.13004 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.137316 162.9
[M+Na]+ 337.119258 169.3
[M-H]- 313.122764 168.5
[M+NH4]+ 332.163863 171.9
[M+K]+ 353.093198 164.5
[M+H-H2O]+ 297.127300 155.9
[M+HCOO]- 359.128241 180.1
[M+CH3COO]- 373.143891 208.6
[M+Na-2H]- 335.104706 165.8
[M]+ 314.12949142 168.5
[M]- 314.13058858 168.5
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.