CID 3053020

As-triazine, 3-(methylthio)-5-(2-thienyl)-

Structural Information

Molecular Formula

C₈H₇N₃S₂

SMILES

CSC1=NC(=CN=N1)C2=CC=CS2

InChI

InChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3

InChIKey

RCEPWGCIEWKWEI-UHFFFAOYSA-N

Compound name

3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 209.00813 Da
Monoisotopic Mass: 1.4
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]+	210.01541	140.0
[M+Na]+	231.99735	153.7
[M+NH4]+	227.04195	149.3
[M+K]+	247.97129	144.6
[M-H]-	208.00085	143.3
[M+Na-2H]-	229.98280	147.4
[M]+	209.00758	143.9
[M]-	209.00868	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe