CID 203649

14893-41-5

Structural Information

Molecular Formula
C21H35NO
SMILES
CCN(CC)CCCC1=CC=C(C=C1)CCC2(CCCCC2)O
InChI
InChI=1S/C21H35NO/c1-3-22(4-2)18-8-9-19-10-12-20(13-11-19)14-17-21(23)15-6-5-7-16-21/h10-13,23H,3-9,14-18H2,1-2H3
InChIKey
FHYYEUWIBYHMPY-UHFFFAOYSA-N
Compound name
1-[2-[4-[3-(diethylamino)propyl]phenyl]ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 182.9
[M+Na]+ 340.261068 184.0
[M-H]- 316.264574 187.3
[M+NH4]+ 335.305673 198.5
[M+K]+ 356.235008 180.4
[M+H-H2O]+ 300.269110 174.6
[M+HCOO]- 362.270051 200.7
[M+CH3COO]- 376.285701 212.4
[M+Na-2H]- 338.246516 183.6
[M]+ 317.27130142 180.8
[M]- 317.27239858 180.8
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.