CID 3022813

93893-59-5

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₄S

SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-9(2)18-7-3-6-14-19(16,17)10-4-5-12(15)11(13)8-10/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3

InChIKey

TVJSIHWAQKKXKD-UHFFFAOYSA-N

Compound name

3-amino-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 288.11438 Da
Monoisotopic Mass: 0.9
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]+	289.121656	163.8
[M+Na]+	311.103598	169.4
[M-H]-	287.107104	165.3
[M+NH4]+	306.148203	178.3
[M+K]+	327.077538	166.1
[M+H-H2O]+	271.111640	156.9
[M+HCOO]-	333.112581	180.3
[M+CH3COO]-	347.128231	201.4
[M+Na-2H]-	309.089046	165.3
[M]+	288.11383142	166.2
[M]-	288.11492858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.