CID 29048718

41606-61-5

Structural Information

Molecular Formula

C₈H₁₂N₂O₃S

SMILES

CCNS(=O)(=O)C1=CC(=C(C=C1)O)N

InChI

InChI=1S/C8H12N2O3S/c1-2-10-14(12,13)6-3-4-8(11)7(9)5-6/h3-5,10-11H,2,9H2,1H3

InChIKey

QPRBDAGIOLBTPF-UHFFFAOYSA-N

Compound name

3-amino-N-ethyl-4-hydroxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 216.05687 Da
Monoisotopic Mass: 0.2
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]+	217.064146	143.3
[M+Na]+	239.046088	151.3
[M-H]-	215.049594	145.6
[M+NH4]+	234.090693	161.0
[M+K]+	255.020028	147.6
[M+H-H2O]+	199.054130	137.4
[M+HCOO]-	261.055071	161.9
[M+CH3COO]-	275.070721	186.2
[M+Na-2H]-	237.031536	147.5
[M]+	216.05632142	143.5
[M]-	216.05741858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe