CID 53440199

Pyrido[3,4-b]pyrazin-8-amine

Structural Information

Molecular Formula

C₇H₆N₄

SMILES

C1=CN=C2C(=CN=CC2=N1)N

InChI

InChI=1S/C7H6N4/c8-5-3-9-4-6-7(5)11-2-1-10-6/h1-4H,8H2

InChIKey

VSRNVTJEJYYPPL-UHFFFAOYSA-N

Compound name

pyrido[3,4-b]pyrazin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 146.05925 Da
Monoisotopic Mass: -0.5
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]+	147.06653	127.4
[M+Na]+	169.04847	137.5
[M-H]-	145.05197	127.8
[M+NH4]+	164.09307	145.3
[M+K]+	185.02241	134.1
[M+H-H2O]+	129.05651	119.4
[M+HCOO]-	191.05745	149.0
[M+CH3COO]-	205.07310	140.7
[M+Na-2H]-	167.03392	138.9
[M]+	146.05870	125.6
[M]-	146.05980	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe