CID 408487

5431-59-4

Structural Information

Molecular Formula

C₁₉H₂₇N₃O

SMILES

CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC

InChI

InChI=1S/C19H27N3O/c1-22(2)12-6-11-20-19-15-7-4-5-8-17(15)21-18-10-9-14(23-3)13-16(18)19/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21)

InChIKey

UQFIXYPIRPFPPL-UHFFFAOYSA-N

Compound name

N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 313.21542 Da
Monoisotopic Mass: 3.8
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]+	314.222696	175.5
[M+Na]+	336.204638	180.2
[M-H]-	312.208144	179.6
[M+NH4]+	331.249243	190.9
[M+K]+	352.178578	176.5
[M+H-H2O]+	296.212680	166.1
[M+HCOO]-	358.213621	194.7
[M+CH3COO]-	372.229271	218.5
[M+Na-2H]-	334.190086	180.8
[M]+	313.21487142	176.3
[M]-	313.21596858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.