CID 54676478

Roquinimex

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₃

SMILES

CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O

InChI

InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3

InChIKey

SGOOQMRIPALTEL-UHFFFAOYSA-N

Compound name

4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 206
References: 23961
Patents: 308.1161 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]+	309.123376	170.0
[M+Na]+	331.105318	178.6
[M-H]-	307.108824	177.0
[M+NH4]+	326.149923	184.1
[M+K]+	347.079258	174.8
[M+H-H2O]+	291.113360	161.0
[M+HCOO]-	353.114301	191.3
[M+CH3COO]-	367.129951	209.9
[M+Na-2H]-	329.090766	174.4
[M]+	308.11555142	172.1
[M]-	308.11664858	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe