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 173.7
[M+Na]+ 319.21447 177.6
[M-H]- 295.21797 175.9
[M+NH4]+ 314.25907 189.2
[M+K]+ 335.18841 172.1
[M+H-H2O]+ 279.22251 164.7
[M+HCOO]- 341.22345 189.8
[M+CH3COO]- 355.23910 210.7
[M+Na-2H]- 317.19992 178.0
[M]+ 296.22470 171.7
[M]- 296.22580 171.7
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.