CID 516625

121845-75-8

Structural Information

Molecular Formula
C12H9N5
SMILES
CC1=NC=CC2=C1N=C(N=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H9N5/c1-8-11-10(4-7-14-8)16-17-12(15-11)9-2-5-13-6-3-9/h2-7H,1H3
InChIKey
JJBUKSHWPOGRFY-UHFFFAOYSA-N
Compound name
5-methyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.0858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09308 152.0
[M+Na]+ 246.07502 163.0
[M-H]- 222.07852 153.0
[M+NH4]+ 241.11962 164.1
[M+K]+ 262.04896 156.9
[M+H-H2O]+ 206.08306 140.8
[M+HCOO]- 268.08400 169.6
[M+CH3COO]- 282.09965 163.3
[M+Na-2H]- 244.06047 162.7
[M]+ 223.08525 152.1
[M]- 223.08635 152.1
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.