CID 15010

Amidephrine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CNCC(C1=CC(=CC=C1)NS(=O)(=O)C)O

InChI

InChI=1S/C10H16N2O3S/c1-11-7-10(13)8-4-3-5-9(6-8)12-16(2,14)15/h3-6,10-13H,7H2,1-2H3

InChIKey

ZHOWHMXTJFZXRB-UHFFFAOYSA-N

Compound name

N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 40
References: 1662
Patents: 244.08817 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.095446	152.1
[M+Na]+	267.077388	158.0
[M-H]-	243.080894	154.2
[M+NH4]+	262.121993	168.5
[M+K]+	283.051328	154.8
[M+H-H2O]+	227.085430	145.6
[M+HCOO]-	289.086371	169.7
[M+CH3COO]-	303.102021	192.4
[M+Na-2H]-	265.062836	155.9
[M]+	244.08762142	153.0
[M]-	244.08871858	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe