CID 725576

9h-xanthene-9-carboxamide

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)N

InChI

InChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16)

InChIKey

WEDLKOCAEPRSPJ-UHFFFAOYSA-N

Compound name

9H-xanthene-9-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 130
Patents: 225.07898 Da
Monoisotopic Mass: 1.6
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]+	226.08626	146.4
[M+Na]+	248.06820	154.5
[M-H]-	224.07170	152.1
[M+NH4]+	243.11280	164.7
[M+K]+	264.04214	151.7
[M+H-H2O]+	208.07624	139.6
[M+HCOO]-	270.07718	166.6
[M+CH3COO]-	284.09283	159.2
[M+Na-2H]-	246.05365	154.9
[M]+	225.07843	145.4
[M]-	225.07953	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe