CID 135742494

3h,4h-imidazo[2,1-f][1,2,4]triazin-4-one

Structural Information

Molecular Formula
C5H4N4O
SMILES
C1=CN2C(=N1)C(=O)NC=N2
InChI
InChI=1S/C5H4N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h1-3H,(H,7,8,10)
InChIKey
QMFPURRPZZSJPF-UHFFFAOYSA-N
Compound name
3H-imidazo[2,1-f][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

136.03851 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.045786 122.2
[M+Na]+ 159.027728 134.7
[M-H]- 135.031234 121.1
[M+NH4]+ 154.072333 141.0
[M+K]+ 175.001668 131.3
[M+H-H2O]+ 119.035770 114.5
[M+HCOO]- 181.036711 143.7
[M+CH3COO]- 195.052361 136.3
[M+Na-2H]- 157.013176 132.6
[M]+ 136.03796142 123.0
[M]- 136.03905858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe