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 156.5
[M+Na]+ 323.10360 162.6
[M-H]- 299.10710 161.0
[M+NH4]+ 318.14820 165.3
[M+K]+ 339.07754 157.7
[M+H-H2O]+ 283.11164 150.2
[M+HCOO]- 345.11258 171.7
[M+CH3COO]- 359.12823 204.5
[M+Na-2H]- 321.08905 158.7
[M]+ 300.11383 159.5
[M]- 300.11493 159.5
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.