CID 270745

Nsc113481

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)N)N

InChI

InChI=1S/C13H10N2O2/c14-7-4-5-10-8(6-7)13(16)12-9(15)2-1-3-11(12)17-10/h1-6H,14-15H2

InChIKey

OKFNUDUVKZUKSW-UHFFFAOYSA-N

Compound name

1,7-diaminoxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.07423 Da
Monoisotopic Mass: 2.2
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]+	227.08151	145.7
[M+Na]+	249.06345	157.7
[M-H]-	225.06695	152.5
[M+NH4]+	244.10805	164.4
[M+K]+	265.03739	154.0
[M+H-H2O]+	209.07149	139.0
[M+HCOO]-	271.07243	170.5
[M+CH3COO]-	285.08808	160.0
[M+Na-2H]-	247.04890	155.8
[M]+	226.07368	147.2
[M]-	226.07478	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe