CID 203648

14893-39-1

Structural Information

Molecular Formula
C21H33NO2
SMILES
C1CCC(CC1)(CCC2=CC=C(C=C2)CCCN3CCOCC3)O
InChI
InChI=1S/C21H33NO2/c23-21(11-2-1-3-12-21)13-10-20-8-6-19(7-9-20)5-4-14-22-15-17-24-18-16-22/h6-9,23H,1-5,10-18H2
InChIKey
PBILSTNXJYPMFU-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-morpholin-4-ylpropyl)phenyl]ethyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.25113 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.25841 186.9
[M+Na]+ 354.24035 198.0
[M+NH4]+ 349.28495 196.2
[M+K]+ 370.21429 187.7
[M-H]- 330.24385 193.4
[M+Na-2H]- 352.22580 194.2
[M]+ 331.25058 190.4
[M]- 331.25168 190.4
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.