CID 866356

2-methyl[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05425 144.6
[M+Na]+ 239.03619 160.6
[M+NH4]+ 234.08079 153.4
[M+K]+ 255.01013 152.8
[M-H]- 215.03969 145.9
[M+Na-2H]- 237.02164 150.8
[M]+ 216.04642 147.8
[M]- 216.04752 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.