CID 2433231

6-chloro-n,n-di(propan-2-yl)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C11H17ClN2O2S
SMILES
CC(C)N(C(C)C)S(=O)(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C11H17ClN2O2S/c1-8(2)14(9(3)4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3
InChIKey
UBAWWMMWTSPSHA-UHFFFAOYSA-N
Compound name
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.06992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.077196 157.4
[M+Na]+ 299.059138 165.0
[M-H]- 275.062644 161.5
[M+NH4]+ 294.103743 174.1
[M+K]+ 315.033078 162.2
[M+H-H2O]+ 259.067180 151.5
[M+HCOO]- 321.068121 168.9
[M+CH3COO]- 335.083771 201.4
[M+Na-2H]- 297.044586 158.8
[M]+ 276.06937142 163.3
[M]- 276.07046858 163.3
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

No patent data available for this compound.