CID 13064692

Pyrido[3,4-g]isoquinoline

Structural Information

Molecular Formula

C₁₂H₈N₂

SMILES

C1=CN=CC2=CC3=C(C=C21)C=NC=C3

InChI

InChI=1S/C12H8N2/c1-3-13-7-11-6-10-2-4-14-8-12(10)5-9(1)11/h1-8H

InChIKey

CXKVSEWPNCOXRI-UHFFFAOYSA-N

Compound name

pyrido[3,4-g]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 180.06874 Da
Monoisotopic Mass: 2.3
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]+	181.07602	135.3
[M+Na]+	203.05796	153.7
[M+NH4]+	198.10256	146.2
[M+K]+	219.03190	144.1
[M-H]-	179.06146	139.7
[M+Na-2H]-	201.04341	146.2
[M]+	180.06819	139.5
[M]-	180.06929	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe