CID 720899

N-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)benzenesulfonamide

Structural Information

Molecular Formula
C10H15NO4S
SMILES
CC(CO)(CO)NS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H15NO4S/c1-10(7-12,8-13)11-16(14,15)9-5-3-2-4-6-9/h2-6,11-13H,7-8H2,1H3
InChIKey
FXFLFZLWSZEBBU-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

245.07217 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.079446 152.7
[M+Na]+ 268.061388 158.6
[M-H]- 244.064894 153.3
[M+NH4]+ 263.105993 168.5
[M+K]+ 284.035328 155.1
[M+H-H2O]+ 228.069430 147.0
[M+HCOO]- 290.070371 167.6
[M+CH3COO]- 304.086021 185.4
[M+Na-2H]- 266.046836 158.5
[M]+ 245.07162142 153.7
[M]- 245.07271858 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe