CID 101400

7-hydroxy-5-methyl-2-methylthio-s-triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H8N4OS
SMILES
CC1=CC(=O)N2C(=N1)N=C(N2)SC
InChI
InChI=1S/C7H8N4OS/c1-4-3-5(12)11-6(8-4)9-7(10-11)13-2/h3H,1-2H3,(H,8,9,10)
InChIKey
DITIBSDLGMCMTP-UHFFFAOYSA-N
Compound name
5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

143
Patents

196.04189 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 138.4
[M+Na]+ 219.03111 152.5
[M-H]- 195.03461 138.1
[M+NH4]+ 214.07571 156.3
[M+K]+ 235.00505 147.8
[M+H-H2O]+ 179.03915 131.8
[M+HCOO]- 241.04009 154.4
[M+CH3COO]- 255.05574 151.9
[M+Na-2H]- 217.01656 142.7
[M]+ 196.04134 143.1
[M]- 196.04244 143.1
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

patents stripe