CID 26162

Soterenol hydrochloride

Structural Information

Molecular Formula
C12H20N2O4S
SMILES
CC(C)NCC(C1=CC(=C(C=C1)O)NS(=O)(=O)C)O
InChI
InChI=1S/C12H20N2O4S/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18/h4-6,8,12-16H,7H2,1-3H3
InChIKey
HHRNQOGXBRYCHF-UHFFFAOYSA-N
Compound name
N-[2-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

3048
Patents

288.11438 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12166 164.9
[M+Na]+ 311.10360 171.5
[M+NH4]+ 306.14820 169.6
[M+K]+ 327.07754 167.5
[M-H]- 287.10710 164.0
[M+Na-2H]- 309.08905 167.0
[M]+ 288.11383 165.5
[M]- 288.11493 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe