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]+ 318.27913 182.9
[M+Na]+ 340.26107 184.0
[M-H]- 316.26457 187.3
[M+NH4]+ 335.30567 198.5
[M+K]+ 356.23501 180.4
[M+H-H2O]+ 300.26911 174.6
[M+HCOO]- 362.27005 200.7
[M+CH3COO]- 376.28570 212.4
[M+Na-2H]- 338.24652 183.6
[M]+ 317.27130 180.8
[M]- 317.27240 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.