CID 503372

Gw 704x

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₂

SMILES

CCCC1=C(C2=C(C=CC(=C2)C#N)NC1=O)OC3CCCC3

InChI

InChI=1S/C18H20N2O2/c1-2-5-14-17(22-13-6-3-4-7-13)15-10-12(11-19)8-9-16(15)20-18(14)21/h8-10,13H,2-7H2,1H3,(H,20,21)

InChIKey

QOABECSISRASAC-UHFFFAOYSA-N

Compound name

4-cyclopentyloxy-2-oxo-3-propyl-1H-quinoline-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 296.15247 Da
Monoisotopic Mass: 3.4
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]+	297.15975	171.4
[M+Na]+	319.14169	181.6
[M-H]-	295.14519	174.8
[M+NH4]+	314.18629	185.9
[M+K]+	335.11563	173.2
[M+H-H2O]+	279.14973	157.2
[M+HCOO]-	341.15067	186.5
[M+CH3COO]-	355.16632	180.7
[M+Na-2H]-	317.12714	172.1
[M]+	296.15192	165.6
[M]-	296.15302	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe