CID 367787

Nsc637729

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CN=CC=C3

InChI

InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H

InChIKey

HZFXWCMVFFTFJE-UHFFFAOYSA-N

Compound name

4-(pyridin-3-ylamino)naphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 250.07423 Da
Monoisotopic Mass: 1.7
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]+	251.08151	153.2
[M+Na]+	273.06345	162.2
[M-H]-	249.06695	159.8
[M+NH4]+	268.10805	169.6
[M+K]+	289.03739	157.2
[M+H-H2O]+	233.07149	144.5
[M+HCOO]-	295.07243	176.1
[M+CH3COO]-	309.08808	165.7
[M+Na-2H]-	271.04890	161.4
[M]+	250.07368	152.4
[M]-	250.07478	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.