CID 16046133

Chembl214096

Structural Information

Molecular Formula
C25H38N2
SMILES
CCCCCCCCCCCCNC1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C25H38N2/c1-2-3-4-5-6-7-8-9-10-15-20-26-25-21-16-11-13-18-23(21)27-24-19-14-12-17-22(24)25/h11,13,16,18H,2-10,12,14-15,17,19-20H2,1H3,(H,26,27)
InChIKey
FMUHMPQVJCLKDI-UHFFFAOYSA-N
Compound name
N-dodecyl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.3035 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.31078 195.4
[M+Na]+ 389.29272 197.2
[M-H]- 365.29622 196.3
[M+NH4]+ 384.33732 207.9
[M+K]+ 405.26666 190.0
[M+H-H2O]+ 349.30076 185.0
[M+HCOO]- 411.30170 210.7
[M+CH3COO]- 425.31735 224.6
[M+Na-2H]- 387.27817 198.1
[M]+ 366.30295 195.6
[M]- 366.30405 195.6
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

No patent data available for this compound.