CID 12589360

40943-34-8

Structural Information

Molecular Formula

C₅H₇N₃O₂S

SMILES

CN1C(=O)NC(=NC1=O)SC

InChI

InChI=1S/C5H7N3O2S/c1-8-4(9)6-3(11-2)7-5(8)10/h1-2H3,(H,6,7,9,10)

InChIKey

NHOUNTPDGFGWGU-UHFFFAOYSA-N

Compound name

3-methyl-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.0259 Da
Monoisotopic Mass: 0.2
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]+	174.03318	134.7
[M+Na]+	196.01512	147.8
[M+NH4]+	191.05972	141.3
[M+K]+	211.98906	141.0
[M-H]-	172.01862	134.0
[M+Na-2H]-	194.00057	139.3
[M]+	173.02535	136.6
[M]-	173.02645	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe