CID 213010

Strinoline

Structural Information

Molecular Formula

C₁₀H₆N₄

SMILES

C1=CC=C2C(=C1)C3=C(C=N2)N=CN=N3

InChI

InChI=1S/C10H6N4/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-14-10/h1-6H

InChIKey

ARFYZKAYDRJATN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 27
Patents: 182.05925 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]+	183.06653	136.5
[M+Na]+	205.04847	148.5
[M-H]-	181.05197	136.9
[M+NH4]+	200.09307	152.9
[M+K]+	221.02241	143.2
[M+H-H2O]+	165.05651	127.0
[M+HCOO]-	227.05745	156.3
[M+CH3COO]-	241.07310	149.5
[M+Na-2H]-	203.03392	150.9
[M]+	182.05870	137.9
[M]-	182.05980	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe