CID 20493570

Quinoline-5-carboxamide

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC(=C2C=CC=NC2=C1)C(=O)N

InChI

InChI=1S/C10H8N2O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9/h1-6H,(H2,11,13)

InChIKey

LZHJFZLHEGJWAU-UHFFFAOYSA-N

Compound name

quinoline-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 172.06366 Da
Monoisotopic Mass: 1.5
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]+	173.070936	133.5
[M+Na]+	195.052878	142.1
[M-H]-	171.056384	136.6
[M+NH4]+	190.097483	153.0
[M+K]+	211.026818	138.9
[M+H-H2O]+	155.060920	126.7
[M+HCOO]-	217.061861	156.3
[M+CH3COO]-	231.077511	181.7
[M+Na-2H]-	193.038326	142.1
[M]+	172.06311142	131.9
[M]-	172.06420858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe