CID 135454647

[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(6h)-one

Structural Information

Molecular Formula
C4H3N5O
SMILES
C1=NC2=NC=NN2C(=O)N1
InChI
InChI=1S/C4H3N5O/c10-4-7-1-5-3-6-2-8-9(3)4/h1-2H,(H,5,6,7,8,10)
InChIKey
HCUNYVTVKYSWBY-UHFFFAOYSA-N
Compound name
6H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

137.03375 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04103 123.0
[M+Na]+ 160.02297 135.9
[M-H]- 136.02647 120.7
[M+NH4]+ 155.06757 140.3
[M+K]+ 175.99691 132.5
[M+H-H2O]+ 120.03101 114.7
[M+HCOO]- 182.03195 143.4
[M+CH3COO]- 196.04760 136.7
[M+Na-2H]- 158.00842 133.7
[M]+ 137.03320 123.9
[M]- 137.03430 123.9
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.