CID 23635607

Chembl1198733

Structural Information

Molecular Formula
C28H49NO
SMILES
CCCCCCCCCCCCCCCCCCNC1CCC2=C(C1)C=CC=C2O
InChI
InChI=1S/C28H49NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-26-21-22-27-25(24-26)19-18-20-28(27)30/h18-20,26,29-30H,2-17,21-24H2,1H3
InChIKey
WVKCBYVCTADZIQ-UHFFFAOYSA-N
Compound name
6-(octadecylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.3814 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.38868 212.8
[M+Na]+ 438.37062 211.6
[M-H]- 414.37412 212.1
[M+NH4]+ 433.41522 223.2
[M+K]+ 454.34456 204.4
[M+H-H2O]+ 398.37866 203.5
[M+HCOO]- 460.37960 227.4
[M+CH3COO]- 474.39525 232.9
[M+Na-2H]- 436.35607 210.5
[M]+ 415.38085 214.7
[M]- 415.38195 214.7
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.