CID 21041237

N-(pyridin-2-ylmethyl)sulfamide

Structural Information

Molecular Formula

C₆H₉N₃O₂S

SMILES

C1=CC=NC(=C1)CNS(=O)(=O)N

InChI

InChI=1S/C6H9N3O2S/c7-12(10,11)9-5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,7,10,11)

InChIKey

QCNARIWDSHXOBP-UHFFFAOYSA-N

Compound name

2-[(sulfamoylamino)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 187.04155 Da
Monoisotopic Mass: -0.9
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]+	188.048826	135.6
[M+Na]+	210.030768	143.5
[M-H]-	186.034274	137.7
[M+NH4]+	205.075373	153.4
[M+K]+	226.004708	140.4
[M+H-H2O]+	170.038810	128.9
[M+HCOO]-	232.039751	155.1
[M+CH3COO]-	246.055401	180.6
[M+Na-2H]-	208.016216	142.5
[M]+	187.04100142	135.3
[M]-	187.04209858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe