CID 119056980

Ethyl 6-(dimethylsulfamoyl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CCOC(=O)C1=CN=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H14N2O4S/c1-4-16-10(13)8-5-6-9(11-7-8)17(14,15)12(2)3/h5-7H,4H2,1-3H3
InChIKey
NKUMVHZHEGMRKP-UHFFFAOYSA-N
Compound name
ethyl 6-(dimethylsulfamoyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 154.2
[M+Na]+ 281.05662 161.9
[M-H]- 257.06012 158.3
[M+NH4]+ 276.10122 170.5
[M+K]+ 297.03056 161.0
[M+H-H2O]+ 241.06466 147.1
[M+HCOO]- 303.06560 172.2
[M+CH3COO]- 317.08125 196.4
[M+Na-2H]- 279.04207 157.7
[M]+ 258.06685 160.3
[M]- 258.06795 160.3
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.