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]+ 297.232526 173.7
[M+Na]+ 319.214468 177.6
[M-H]- 295.217974 175.9
[M+NH4]+ 314.259073 189.2
[M+K]+ 335.188408 172.1
[M+H-H2O]+ 279.222510 164.7
[M+HCOO]- 341.223451 189.8
[M+CH3COO]- 355.239101 210.7
[M+Na-2H]- 317.199916 178.0
[M]+ 296.22470142 171.7
[M]- 296.22579858 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.