CID 6410407

1,2,4-triazino[5,6-c]quinoline, 3-methoxy-

Structural Information

Molecular Formula

C₁₁H₈N₄O

SMILES

COC1=NC2=C(C3=CC=CC=C3N=C2)N=N1

InChI

InChI=1S/C11H8N4O/c1-16-11-13-9-6-12-8-5-3-2-4-7(8)10(9)14-15-11/h2-6H,1H3

InChIKey

FCRFQJXTTSSYQP-UHFFFAOYSA-N

Compound name

3-methoxy-[1,2,4]triazino[5,6-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 212.06981 Da
Monoisotopic Mass: 1.2
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]+	213.077086	145.2
[M+Na]+	235.059028	157.5
[M-H]-	211.062534	145.9
[M+NH4]+	230.103633	160.6
[M+K]+	251.032968	152.6
[M+H-H2O]+	195.067070	135.4
[M+HCOO]-	257.068011	164.7
[M+CH3COO]-	271.083661	157.9
[M+Na-2H]-	233.044476	158.1
[M]+	212.06926142	148.7
[M]-	212.07035858	148.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.