CID 3053022

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

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CSC1=NC(=CN=N1)C2=CC=CO2
InChI
InChI=1S/C8H7N3OS/c1-13-8-10-6(5-9-11-8)7-3-2-4-12-7/h2-5H,1H3
InChIKey
HYJFRRDZVBLEEK-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.03099 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 136.6
[M+Na]+ 216.02021 147.9
[M-H]- 192.02371 141.1
[M+NH4]+ 211.06481 153.5
[M+K]+ 231.99415 145.9
[M+H-H2O]+ 176.02825 129.0
[M+HCOO]- 238.02919 154.5
[M+CH3COO]- 252.04484 150.6
[M+Na-2H]- 214.00566 141.4
[M]+ 193.03044 140.6
[M]- 193.03154 140.6
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