CID 12853683

84582-90-1

Structural Information

Molecular Formula
C5H8N4S2
SMILES
CSC1=C(N=NC(=N1)SC)N
InChI
InChI=1S/C5H8N4S2/c1-10-4-3(6)8-9-5(7-4)11-2/h1-2H3,(H2,6,8)
InChIKey
IBOKEQFMMUALBP-UHFFFAOYSA-N
Compound name
3,5-bis(methylsulfanyl)-1,2,4-triazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

188.01904 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02632 132.9
[M+Na]+ 211.00826 143.7
[M-H]- 187.01176 132.7
[M+NH4]+ 206.05286 149.4
[M+K]+ 226.98220 138.7
[M+H-H2O]+ 171.01630 126.1
[M+HCOO]- 233.01724 144.2
[M+CH3COO]- 247.03289 182.6
[M+Na-2H]- 208.99371 135.1
[M]+ 188.01849 134.5
[M]- 188.01959 134.5
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

patents stripe