CID 168295790

Chembl5209308

Structural Information

Molecular Formula

C₁₉H₂₄N₂

SMILES

CCCCCCCCC1=NC2=CC=CC=C2C3=C1NC=C3

InChI

InChI=1S/C19H24N2/c1-2-3-4-5-6-7-12-18-19-16(13-14-20-19)15-10-8-9-11-17(15)21-18/h8-11,13-14,20H,2-7,12H2,1H3

InChIKey

SRAZMJUGMVNMPK-UHFFFAOYSA-N

Compound name

4-octyl-3H-pyrrolo[2,3-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 280.19394 Da
Monoisotopic Mass: 6.2
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]+	281.20122	169.6
[M+Na]+	303.18316	177.9
[M-H]-	279.18666	170.6
[M+NH4]+	298.22776	186.5
[M+K]+	319.15710	170.6
[M+H-H2O]+	263.19120	161.1
[M+HCOO]-	325.19214	188.5
[M+CH3COO]-	339.20779	180.2
[M+Na-2H]-	301.16861	174.8
[M]+	280.19339	172.6
[M]-	280.19449	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.