CID 3087102

1,2,3,4-tetrahydro-9-(heptylamino)acridine butenedioate (2:1)

Structural Information

Molecular Formula
C20H28N2
SMILES
CCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C20H28N2/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/h6,8,11,13H,2-5,7,9-10,12,14-15H2,1H3,(H,21,22)
InChIKey
HQRYMINYXXVYNF-UHFFFAOYSA-N
Compound name
N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

296.22525 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 173.0
[M+Na]+ 319.21447 177.2
[M-H]- 295.21797 175.1
[M+NH4]+ 314.25907 188.6
[M+K]+ 335.18841 171.1
[M+H-H2O]+ 279.22251 163.8
[M+HCOO]- 341.22345 190.2
[M+CH3COO]- 355.23910 209.8
[M+Na-2H]- 317.19992 178.5
[M]+ 296.22470 171.6
[M]- 296.22580 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe