CID 44177328

Akn-028

Structural Information

Molecular Formula

C₁₇H₁₄N₆

SMILES

C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4

InChI

InChI=1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)

InChIKey

JLRIJKVMMZEKDF-UHFFFAOYSA-N

Compound name

3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 445
Patents: 302.128 Da
Monoisotopic Mass: 2.0
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]+	303.13528	169.0
[M+Na]+	325.11722	184.9
[M+NH4]+	320.16182	176.3
[M+K]+	341.09116	178.7
[M-H]-	301.12072	174.8
[M+Na-2H]-	323.10267	180.1
[M]+	302.12745	172.9
[M]-	302.12855	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe