CID 2738421

Mls000861973

Structural Information

Molecular Formula

C₁₅H₁₂N₄O

SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C15H12N4O/c20-15(18-9-11-4-3-7-16-8-11)14-10-17-12-5-1-2-6-13(12)19-14/h1-8,10H,9H2,(H,18,20)

InChIKey

DXRBOJFUNWOHCE-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)quinoxaline-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 264.1011 Da
Monoisotopic Mass: 1.8
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]+	265.108376	159.3
[M+Na]+	287.090318	166.9
[M-H]-	263.093824	162.5
[M+NH4]+	282.134923	171.7
[M+K]+	303.064258	161.5
[M+H-H2O]+	247.098360	148.6
[M+HCOO]-	309.099301	179.4
[M+CH3COO]-	323.114951	169.9
[M+Na-2H]-	285.075766	169.0
[M]+	264.10055142	158.5
[M]-	264.10164858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.