CID 38072

Cridanimod

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)

InChIKey

UOMKBIIXHQIERR-UHFFFAOYSA-N

Compound name

2-(9-oxoacridin-10-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 242
References: 800
Patents: 253.0739 Da
Monoisotopic Mass: 2.7
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]+	254.08118	152.5
[M+Na]+	276.06312	163.4
[M-H]-	252.06662	156.2
[M+NH4]+	271.10772	169.7
[M+K]+	292.03706	158.4
[M+H-H2O]+	236.07116	145.0
[M+HCOO]-	298.07210	173.1
[M+CH3COO]-	312.08775	165.3
[M+Na-2H]-	274.04857	161.1
[M]+	253.07335	155.5
[M]-	253.07445	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe