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 185.1
[M+Na]+ 354.24035 185.2
[M-H]- 330.24385 189.8
[M+NH4]+ 349.28495 196.2
[M+K]+ 370.21429 181.6
[M+H-H2O]+ 314.24839 174.8
[M+HCOO]- 376.24933 196.4
[M+CH3COO]- 390.26498 205.8
[M+Na-2H]- 352.22580 186.1
[M]+ 331.25058 177.9
[M]- 331.25168 177.9
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.