CID 23521

Acridine, 9-heptylamino-

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

CCCCCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C20H24N2/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/h6-9,11-14H,2-5,10,15H2,1H3,(H,21,22)

InChIKey

MOPIFNSMNXBREW-UHFFFAOYSA-N

Compound name

N-heptylacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 292.19394 Da
Monoisotopic Mass: 6.4
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]+	293.20122	170.5
[M+Na]+	315.18316	177.9
[M-H]-	291.18666	173.9
[M+NH4]+	310.22776	186.6
[M+K]+	331.15710	171.2
[M+H-H2O]+	275.19120	161.4
[M+HCOO]-	337.19214	192.0
[M+CH3COO]-	351.20779	181.3
[M+Na-2H]-	313.16861	179.1
[M]+	292.19339	173.5
[M]-	292.19449	173.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.