CID 3087106

113106-72-2

Structural Information

Molecular Formula
C20H28N2
SMILES
CCCCCC(C)NC1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H28N2/c1-3-4-5-10-15(2)21-20-16-11-6-8-13-18(16)22-19-14-9-7-12-17(19)20/h6,8,11,13,15H,3-5,7,9-10,12,14H2,1-2H3,(H,21,22)
InChIKey
RHZQFYBEHINOGD-UHFFFAOYSA-N
Compound name
N-heptan-2-yl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 174.7
[M+Na]+ 319.21447 187.5
[M+NH4]+ 314.25907 184.3
[M+K]+ 335.18841 177.9
[M-H]- 295.21797 179.1
[M+Na-2H]- 317.19992 180.2
[M]+ 296.22470 177.9
[M]- 296.22580 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.