CID 1565061

481687-01-8

Structural Information

Molecular Formula

C₁₇H₂₂N₂

SMILES

CCCCCN1C2=C(CCC2)C(=N)C3=CC=CC=C31

InChI

InChI=1S/C17H22N2/c1-2-3-6-12-19-15-10-5-4-8-13(15)17(18)14-9-7-11-16(14)19/h4-5,8,10,18H,2-3,6-7,9,11-12H2,1H3

InChIKey

NUUYLSYEZFKFHN-UHFFFAOYSA-N

Compound name

4-pentyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 254.1783 Da
Monoisotopic Mass: 4.2
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]+	255.185576	160.1
[M+Na]+	277.167518	168.0
[M-H]-	253.171024	163.9
[M+NH4]+	272.212123	179.9
[M+K]+	293.141458	162.0
[M+H-H2O]+	237.175560	152.7
[M+HCOO]-	299.176501	180.9
[M+CH3COO]-	313.192151	171.9
[M+Na-2H]-	275.152966	164.8
[M]+	254.17775142	159.9
[M]-	254.17884858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe