CID 11806054

5-ethoxy-7-fluoro-2h-[1,2,4]triazolo[4,3-c]pyrimidine-3-thione

Structural Information

Molecular Formula
C7H7FN4OS
SMILES
CCOC1=NC(=CC2=NNC(=S)N21)F
InChI
InChI=1S/C7H7FN4OS/c1-2-13-6-9-4(8)3-5-10-11-7(14)12(5)6/h3H,2H2,1H3,(H,11,14)
InChIKey
CEDLKUWEKFRXRC-UHFFFAOYSA-N
Compound name
5-ethoxy-7-fluoro-2H-[1,2,4]triazolo[4,3-c]pyrimidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

214.03246 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03974 139.9
[M+Na]+ 237.02168 154.0
[M-H]- 213.02518 138.3
[M+NH4]+ 232.06628 157.0
[M+K]+ 252.99562 148.8
[M+H-H2O]+ 197.02972 132.4
[M+HCOO]- 259.03066 154.9
[M+CH3COO]- 273.04631 152.9
[M+Na-2H]- 235.00713 143.8
[M]+ 214.03191 143.6
[M]- 214.03301 143.6
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