CID 117639

25797-78-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)N

InChI

InChI=1S/C10H16N2O3S/c1-7-5-9(11)6-10(8(7)2)16(14,15)12-3-4-13/h5-6,12-13H,3-4,11H2,1-2H3

InChIKey

OAXALELBVDDFOC-UHFFFAOYSA-N

Compound name

5-amino-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 244.08817 Da
Monoisotopic Mass: 0.3
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	152.0
[M+Na]+	267.077388	159.9
[M-H]-	243.080894	154.3
[M+NH4]+	262.121993	168.8
[M+K]+	283.051328	155.8
[M+H-H2O]+	227.085430	145.9
[M+HCOO]-	289.086371	169.9
[M+CH3COO]-	303.102021	193.5
[M+Na-2H]-	265.062836	154.5
[M]+	244.08762142	153.3
[M]-	244.08871858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe