CID 3022813

114565-70-7

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 165.0
[M+Na]+ 311.10360 172.3
[M+NH4]+ 306.14820 170.1
[M+K]+ 327.07754 167.3
[M-H]- 287.10710 164.7
[M+Na-2H]- 309.08905 167.6
[M]+ 288.11383 166.0
[M]- 288.11493 166.0
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.