CID 14346876

112006-75-4

Structural Information

Molecular Formula

C₈H₁₁N₃O₃S

SMILES

CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)

InChIKey

WYFKZPLSYVJLRB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-sulfamoylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 229
Patents: 229.05211 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.059386	146.9
[M+Na]+	252.041328	154.7
[M-H]-	228.044834	150.6
[M+NH4]+	247.085933	163.8
[M+K]+	268.015268	153.2
[M+H-H2O]+	212.049370	139.9
[M+HCOO]-	274.050311	165.5
[M+CH3COO]-	288.065961	192.7
[M+Na-2H]-	250.026776	150.6
[M]+	229.05156142	149.0
[M]-	229.05265858	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe