CID 11067475

101904-51-2

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₃

SMILES

C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C20H14N2O3/c23-19-13-8-4-5-9-16(13)22-17-11-15(20(24)25)18(10-14(17)19)21-12-6-2-1-3-7-12/h1-11,21H,(H,22,23)(H,24,25)

InChIKey

HKQTUROKKAXNFP-UHFFFAOYSA-N

Compound name

2-anilino-9-oxo-10H-acridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 330.10043 Da
Monoisotopic Mass: 4.6
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]+	331.107706	173.7
[M+Na]+	353.089648	182.9
[M-H]-	329.093154	179.0
[M+NH4]+	348.134253	186.2
[M+K]+	369.063588	175.9
[M+H-H2O]+	313.097690	164.5
[M+HCOO]-	375.098631	193.2
[M+CH3COO]-	389.114281	184.1
[M+Na-2H]-	351.075096	181.6
[M]+	330.09988142	173.6
[M]-	330.10097858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe