CID 54679773

Nsc675973

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₃

SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3NC2=O)O

InChI

InChI=1S/C18H16N2O3/c21-16-13-8-4-5-9-14(13)20-18(23)15(16)17(22)19-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H2,20,21,23)

InChIKey

CRJBVUCXSLZFQS-UHFFFAOYSA-N

Compound name

4-hydroxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 308.1161 Da
Monoisotopic Mass: 3.2
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]+	309.12338	169.9
[M+Na]+	331.10532	177.1
[M-H]-	307.10882	173.7
[M+NH4]+	326.14992	182.4
[M+K]+	347.07926	171.0
[M+H-H2O]+	291.11336	161.2
[M+HCOO]-	353.11430	189.2
[M+CH3COO]-	367.12995	203.2
[M+Na-2H]-	329.09077	175.4
[M]+	308.11555	168.6
[M]-	308.11665	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe