CID 786278

87253-83-6

Structural Information

Molecular Formula

C₇H₈N₃S₂

SMILES

CC1=CC(=[N+]2C(=N1)SC(=S)N2)C

InChI

InChI=1S/C7H7N3S2/c1-4-3-5(2)10-6(8-4)12-7(11)9-10/h3H,1-2H3/p+1

InChIKey

JQJIIAGVULRAON-UHFFFAOYSA-O

Compound name

5,7-dimethyl-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 198.01596 Da
Monoisotopic Mass: 2.3
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]+	199.02324	133.3
[M+Na]+	221.00518	149.2
[M+NH4]+	216.04978	143.4
[M+K]+	236.97912	141.3
[M-H]-	197.00868	136.2
[M+Na-2H]-	218.99063	139.2
[M]+	198.01541	137.7
[M]-	198.01651	137.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.