CID 6602203

5'-(2-(cyclopropylamino)-1-hydroxypropyl)-2'-hydroxy-methanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
C[C@@H]([C@@H](C1=CC(=C(C=C1)O)NS(=O)(=O)C)O)NC2CC2
InChI
InChI=1S/C13H20N2O4S/c1-8(14-10-4-5-10)13(17)9-3-6-12(16)11(7-9)15-20(2,18)19/h3,6-8,10,13-17H,4-5H2,1-2H3/t8-,13-/m0/s1
InChIKey
ROUVCCYIWRYFPD-SDBXPKJASA-N
Compound name
N-[5-[(1R,2S)-2-(cyclopropylamino)-1-hydroxypropyl]-2-hydroxyphenyl]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 167.5
[M+Na]+ 323.10360 176.0
[M+NH4]+ 318.14820 173.4
[M+K]+ 339.07754 173.1
[M-H]- 299.10710 175.1
[M+Na-2H]- 321.08905 173.3
[M]+ 300.11383 172.0
[M]- 300.11493 172.0
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.