CID 516630

121845-82-7

Structural Information

Molecular Formula
C13H12N6
SMILES
CC1=C(C2=C(C(=N1)C)N=C(N=N2)C3=CC=NC=C3)N
InChI
InChI=1S/C13H12N6/c1-7-10(14)12-11(8(2)16-7)17-13(19-18-12)9-3-5-15-6-4-9/h3-6H,14H2,1-2H3
InChIKey
HDNSTRPKPZGAGR-UHFFFAOYSA-N
Compound name
5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.11235 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11963 162.6
[M+Na]+ 275.10157 174.3
[M-H]- 251.10507 164.0
[M+NH4]+ 270.14617 173.7
[M+K]+ 291.07551 167.5
[M+H-H2O]+ 235.10961 151.7
[M+HCOO]- 297.11055 180.4
[M+CH3COO]- 311.12620 173.4
[M+Na-2H]- 273.08702 170.9
[M]+ 252.11180 162.5
[M]- 252.11290 162.5
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.