CID 866356

875160-35-3

Structural Information

Molecular Formula

C₁₀H₈N₄S

SMILES

CC1=NC2=C3C=CC=CC3=NC(=S)N2N1

InChI

InChI=1S/C10H8N4S/c1-6-11-9-7-4-2-3-5-8(7)12-10(15)14(9)13-6/h2-5H,1H3,(H,11,13)

InChIKey

OHYMWNARIQBYDT-UHFFFAOYSA-N

Compound name

2-methyl-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.04697 Da
Monoisotopic Mass: 0.8
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]+	217.05425	144.0
[M+Na]+	239.03619	158.6
[M-H]-	215.03969	144.6
[M+NH4]+	234.08079	162.1
[M+K]+	255.01013	151.9
[M+H-H2O]+	199.04423	137.2
[M+HCOO]-	261.04517	158.8
[M+CH3COO]-	275.06082	157.1
[M+Na-2H]-	237.02164	150.0
[M]+	216.04642	147.4
[M]-	216.04752	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.