CID 3022813

3-amino-4-hydroxy-n-(3-isopropoxypropyl)benzenesulfonamide hydrochloride

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
1
Annotation Hits

0
References

0
Patents

288.11438 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12166 163.8
[M+Na]+ 311.10360 169.4
[M-H]- 287.10710 165.3
[M+NH4]+ 306.14820 178.3
[M+K]+ 327.07754 166.1
[M+H-H2O]+ 271.11164 156.9
[M+HCOO]- 333.11258 180.3
[M+CH3COO]- 347.12823 201.4
[M+Na-2H]- 309.08905 165.3
[M]+ 288.11383 166.2
[M]- 288.11493 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.