CID 458038

121845-79-2

Structural Information

Molecular Formula

C₁₃H₁₁N₅

SMILES

CC1=CC2=C(C(=N1)C)N=C(N=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H11N5/c1-8-7-11-12(9(2)15-8)16-13(18-17-11)10-3-5-14-6-4-10/h3-7H,1-2H3

InChIKey

ZKIOMLWEPUHBCQ-UHFFFAOYSA-N

Compound name

5,7-dimethyl-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: 237.10144 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.10872	157.5
[M+Na]+	260.09066	168.9
[M-H]-	236.09416	158.8
[M+NH4]+	255.13526	169.3
[M+K]+	276.06460	162.6
[M+H-H2O]+	220.09870	146.2
[M+HCOO]-	282.09964	174.7
[M+CH3COO]-	296.11529	168.6
[M+Na-2H]-	258.07611	166.8
[M]+	237.10089	158.3
[M]-	237.10199	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.