CID 83095493

5-ethyl-2-methoxy-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CCC1=CC(=O)N2C(=N1)N=C(N2)OC
InChI
InChI=1S/C8H10N4O2/c1-3-5-4-6(13)12-7(9-5)10-8(11-12)14-2/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
FCGMFKPHHLYBKG-UHFFFAOYSA-N
Compound name
5-ethyl-2-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 139.5
[M+Na]+ 217.069588 152.4
[M-H]- 193.073094 138.8
[M+NH4]+ 212.114193 156.5
[M+K]+ 233.043528 148.7
[M+H-H2O]+ 177.077630 131.7
[M+HCOO]- 239.078571 160.2
[M+CH3COO]- 253.094221 180.9
[M+Na-2H]- 215.055036 146.8
[M]+ 194.07982142 143.6
[M]- 194.08091858 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

No patent data available for this compound.