CID 23635491

Chembl1196903

Structural Information

Molecular Formula
C24H41NO
SMILES
CCCCCCCCCCCCCCNC1CCC2=C(C1)C(=CC=C2)O
InChI
InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-22-18-17-21-15-14-16-24(26)23(21)20-22/h14-16,22,25-26H,2-13,17-20H2,1H3
InChIKey
GAISVAHSMVVFDI-UHFFFAOYSA-N
Compound name
7-(tetradecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.31882 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.32610 195.4
[M+Na]+ 382.30804 196.1
[M-H]- 358.31154 195.6
[M+NH4]+ 377.35264 208.3
[M+K]+ 398.28198 189.8
[M+H-H2O]+ 342.31608 186.9
[M+HCOO]- 404.31702 211.5
[M+CH3COO]- 418.33267 221.1
[M+Na-2H]- 380.29349 195.3
[M]+ 359.31827 196.0
[M]- 359.31937 196.0
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.