CID 49614

67227-08-1

Structural Information

Molecular Formula
C21H35NO
SMILES
CCC(C(CC(C)N(C)C)(C1CCCCC1)C2=CC=CC=C2)O
InChI
InChI=1S/C21H35NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,17,19-20,23H,5,7,10-11,14-16H2,1-4H3
InChIKey
TXRCXWJKZCSLSE-UHFFFAOYSA-N
Compound name
4-cyclohexyl-6-(dimethylamino)-4-phenylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.27185 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.279126 182.2
[M+Na]+ 340.261068 181.3
[M-H]- 316.264574 186.4
[M+NH4]+ 335.305673 195.4
[M+K]+ 356.235008 179.0
[M+H-H2O]+ 300.269110 174.1
[M+HCOO]- 362.270051 196.5
[M+CH3COO]- 376.285701 213.9
[M+Na-2H]- 338.246516 181.1
[M]+ 317.27130142 177.8
[M]- 317.27239858 177.8
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.