CID 198002

Taurinophenetidine

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)CCN

InChI

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

InChIKey

MSLCSNNRQGMSFE-UHFFFAOYSA-N

Compound name

2-amino-N-(4-ethoxyphenyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 244.08817 Da
Monoisotopic Mass: 0.8
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]+	245.09545	152.0
[M+Na]+	267.07739	158.7
[M-H]-	243.08089	155.0
[M+NH4]+	262.12199	169.0
[M+K]+	283.05133	155.4
[M+H-H2O]+	227.08543	145.2
[M+HCOO]-	289.08637	171.5
[M+CH3COO]-	303.10202	193.4
[M+Na-2H]-	265.06284	156.3
[M]+	244.08762	154.4
[M]-	244.08872	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe