CID 136405893

3h,4h-pyrido[3,2-d][1,2,3]triazin-4-one

Structural Information

Molecular Formula
C6H4N4O
SMILES
C1=CC2=C(C(=O)NN=N2)N=C1
InChI
InChI=1S/C6H4N4O/c11-6-5-4(8-10-9-6)2-1-3-7-5/h1-3H,(H,8,9,11)
InChIKey
BPWKCMCCJSAUDE-UHFFFAOYSA-N
Compound name
3H-pyrido[3,2-d]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

148.03851 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04579 127.4
[M+Na]+ 171.02773 138.6
[M-H]- 147.03123 125.7
[M+NH4]+ 166.07233 143.7
[M+K]+ 187.00167 134.6
[M+H-H2O]+ 131.03577 119.2
[M+HCOO]- 193.03671 146.4
[M+CH3COO]- 207.05236 140.3
[M+Na-2H]- 169.01318 139.3
[M]+ 148.03796 126.4
[M]- 148.03906 126.4
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