CID 3041780

5'-(2-(cyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-3'-methylmethanesulfonanilide hcl

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
CC1=CC(=CC(=C1O)NS(=O)(=O)C)C(CNC2CC2)O
InChI
InChI=1S/C13H20N2O4S/c1-8-5-9(12(16)7-14-10-3-4-10)6-11(13(8)17)15-20(2,18)19/h5-6,10,12,14-17H,3-4,7H2,1-2H3
InChIKey
HILPQXRWHXTGHK-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxy-3-methylphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.11438 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12166 157.3
[M+Na]+ 323.10360 164.5
[M-H]- 299.10710 162.1
[M+NH4]+ 318.14820 166.5
[M+K]+ 339.07754 159.0
[M+H-H2O]+ 283.11164 151.0
[M+HCOO]- 345.11258 173.3
[M+CH3COO]- 359.12823 204.9
[M+Na-2H]- 321.08905 159.8
[M]+ 300.11383 161.3
[M]- 300.11493 161.3
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.