CID 3087102

113106-70-0

Structural Information

Molecular Formula

C₂₀H₂₈N₂

SMILES

CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C20H28N2/c1-2-3-4-5-10-15-21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20/h6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22)

InChIKey

HQRYMINYXXVYNF-UHFFFAOYSA-N

Compound name

N-heptyl-1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 296.22525 Da
Monoisotopic Mass: 6.3
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]+	297.23253	173.0
[M+Na]+	319.21447	177.2
[M-H]-	295.21797	175.1
[M+NH4]+	314.25907	188.6
[M+K]+	335.18841	171.1
[M+H-H2O]+	279.22251	163.8
[M+HCOO]-	341.22345	190.2
[M+CH3COO]-	355.23910	209.8
[M+Na-2H]-	317.19992	178.5
[M]+	296.22470	171.6
[M]-	296.22580	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe