CID 516624

3,5-dimethylpyrido[3,4-e][1,2,4]triazine

Structural Information

Molecular Formula
C8H8N4
SMILES
CC1=NC=CC2=C1N=C(N=N2)C
InChI
InChI=1S/C8H8N4/c1-5-8-7(3-4-9-5)12-11-6(2)10-8/h3-4H,1-2H3
InChIKey
JKFHTFWIIMAUHR-UHFFFAOYSA-N
Compound name
3,5-dimethylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

160.07489 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 134.0
[M+Na]+ 183.06411 145.4
[M-H]- 159.06761 133.6
[M+NH4]+ 178.10871 150.8
[M+K]+ 199.03805 141.9
[M+H-H2O]+ 143.07215 125.3
[M+HCOO]- 205.07309 153.3
[M+CH3COO]- 219.08874 147.1
[M+Na-2H]- 181.04956 144.5
[M]+ 160.07434 135.1
[M]- 160.07544 135.1
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.