CID 10018304

N-octyl-1,2,3,4-tetrahydroacridin-9-amine

Structural Information

Molecular Formula
C21H30N2
SMILES
CCCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C21H30N2/c1-2-3-4-5-6-11-16-22-21-17-12-7-9-14-19(17)23-20-15-10-8-13-18(20)21/h7,9,12,14H,2-6,8,10-11,13,15-16H2,1H3,(H,22,23)
InChIKey
YBNDUUUQKSTMNR-UHFFFAOYSA-N
Compound name
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

310.2409 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 177.5
[M+Na]+ 333.23012 181.3
[M-H]- 309.23362 179.4
[M+NH4]+ 328.27472 192.5
[M+K]+ 349.20406 175.0
[M+H-H2O]+ 293.23816 168.1
[M+HCOO]- 355.23910 194.3
[M+CH3COO]- 369.25475 212.8
[M+Na-2H]- 331.21557 182.5
[M]+ 310.24035 176.5
[M]- 310.24145 176.5
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