CID 3871028

6837-92-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₃S

SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)N

InChI

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

InChIKey

RTALNXDPLAIQCQ-UHFFFAOYSA-N

Compound name

3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 244.08817 Da
Monoisotopic Mass: 1.4
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	153.7
[M+Na]+	267.07739	162.5
[M+NH4]+	262.12199	160.1
[M+K]+	283.05133	157.0
[M-H]-	243.08089	154.6
[M+Na-2H]-	265.06284	157.7
[M]+	244.08762	155.4
[M]-	244.08872	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe