CID 357517

Nsc616811

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1C(=O)NN=C2N1C=CC=C2
InChI
InChI=1S/C7H7N3O/c11-7-5-10-4-2-1-3-6(10)8-9-7/h1-4H,5H2,(H,9,11)
InChIKey
MVLJQKIZBAOZDT-UHFFFAOYSA-N
Compound name
2,4-dihydropyrido[2,1-c][1,2,4]triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 129.4
[M+Na]+ 172.048128 137.9
[M-H]- 148.051634 128.2
[M+NH4]+ 167.092733 146.7
[M+K]+ 188.022068 134.6
[M+H-H2O]+ 132.056170 121.6
[M+HCOO]- 194.057111 146.5
[M+CH3COO]- 208.072761 141.5
[M+Na-2H]- 170.033576 138.7
[M]+ 149.05836142 125.3
[M]- 149.05945858 125.3
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

No patent data available for this compound.