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]+ 150.06619 129.4
[M+Na]+ 172.04813 137.9
[M-H]- 148.05163 128.2
[M+NH4]+ 167.09273 146.7
[M+K]+ 188.02207 134.6
[M+H-H2O]+ 132.05617 121.6
[M+HCOO]- 194.05711 146.5
[M+CH3COO]- 208.07276 141.5
[M+Na-2H]- 170.03358 138.7
[M]+ 149.05836 125.3
[M]- 149.05946 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.