CID 47002861

N,n-dimethyl-1-{[1,2,4]triazolo[1,5-a]pyrimidin-6-ylsulfanyl}formamide

Structural Information

Molecular Formula
C8H9N5OS
SMILES
CN(C)C(=O)SC1=CN2C(=NC=N2)N=C1
InChI
InChI=1S/C8H9N5OS/c1-12(2)8(14)15-6-3-9-7-10-5-11-13(7)4-6/h3-5H,1-2H3
InChIKey
DYZYPRKKVGPRBB-UHFFFAOYSA-N
Compound name
S-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl) N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05278 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06006 145.4
[M+Na]+ 246.04200 156.8
[M-H]- 222.04550 147.4
[M+NH4]+ 241.08660 162.6
[M+K]+ 262.01594 154.6
[M+H-H2O]+ 206.05004 137.4
[M+HCOO]- 268.05098 163.1
[M+CH3COO]- 282.06663 158.5
[M+Na-2H]- 244.02745 150.5
[M]+ 223.05223 151.3
[M]- 223.05333 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.