CID 142612096

2360830-03-9

Structural Information

Molecular Formula

C₈H₁₂N₄O₂S

SMILES

CN1CCN(S1(=O)=O)C2=CN=CC(=C2)N

InChI

InChI=1S/C8H12N4O2S/c1-11-2-3-12(15(11,13)14)8-4-7(9)5-10-6-8/h4-6H,2-3,9H2,1H3

InChIKey

BSCOSNLJJVGKDP-UHFFFAOYSA-N

Compound name

5-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 228.0681 Da
Monoisotopic Mass: -1.0
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]+	229.07538	145.6
[M+Na]+	251.05732	156.4
[M-H]-	227.06082	149.0
[M+NH4]+	246.10192	163.8
[M+K]+	267.03126	152.9
[M+H-H2O]+	211.06536	138.6
[M+HCOO]-	273.06630	162.1
[M+CH3COO]-	287.08195	186.4
[M+Na-2H]-	249.04277	147.9
[M]+	228.06755	145.8
[M]-	228.06865	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe