CID 112572624

6-(propan-2-yloxy)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CC(C)OC1=NC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H12N2O3S/c1-6(2)13-8-4-3-7(5-10-8)14(9,11)12/h3-6H,1-2H3,(H2,9,11,12)
InChIKey
LFGWPSHHRMPXEM-UHFFFAOYSA-N
Compound name
6-propan-2-yloxypyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05687 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.064146 144.1
[M+Na]+ 239.046088 152.4
[M-H]- 215.049594 146.5
[M+NH4]+ 234.090693 161.4
[M+K]+ 255.020028 150.2
[M+H-H2O]+ 199.054130 137.7
[M+HCOO]- 261.055071 161.2
[M+CH3COO]- 275.070721 185.8
[M+Na-2H]- 237.031536 147.9
[M]+ 216.05632142 146.6
[M]- 216.05741858 146.6
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.