CID 3053020

As-triazine, 3-(methylthio)-5-(2-thienyl)-

Structural Information

Molecular Formula
C8H7N3S2
SMILES
CSC1=NC(=CN=N1)C2=CC=CS2
InChI
InChI=1S/C8H7N3S2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3
InChIKey
RCEPWGCIEWKWEI-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.00813 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01541 138.2
[M+Na]+ 231.99735 150.2
[M-H]- 208.00085 142.1
[M+NH4]+ 227.04195 156.3
[M+K]+ 247.97129 145.5
[M+H-H2O]+ 192.00539 131.4
[M+HCOO]- 254.00633 151.4
[M+CH3COO]- 268.02198 151.6
[M+Na-2H]- 229.98280 140.1
[M]+ 209.00758 141.3
[M]- 209.00868 141.3
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

patents stripe