CID 9431

316-87-0

Structural Information

Molecular Formula

C₁₈H₂₄N₂

SMILES

CCCCCNC1=C2CCCCC2=NC3=CC=CC=C31

InChI

InChI=1S/C18H24N2/c1-2-3-8-13-19-18-14-9-4-6-11-16(14)20-17-12-7-5-10-15(17)18/h4,6,9,11H,2-3,5,7-8,10,12-13H2,1H3,(H,19,20)

InChIKey

KPBXUHIQUPUXJA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 268.19394 Da
Monoisotopic Mass: 5.2
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]+	269.201216	163.9
[M+Na]+	291.183158	169.0
[M-H]-	267.186664	166.4
[M+NH4]+	286.227763	180.7
[M+K]+	307.157098	163.5
[M+H-H2O]+	251.191200	155.1
[M+HCOO]-	313.192141	181.8
[M+CH3COO]-	327.207791	173.9
[M+Na-2H]-	289.168606	170.6
[M]+	268.19339142	161.9
[M]-	268.19448858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe