CID 212869

25224-21-9

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CCC(=O)C1(CCN(CC1)CCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C20H30N2O2/c1-2-19(23)20(18-6-4-3-5-7-18)8-10-21(11-9-20)12-13-22-14-16-24-17-15-22/h3-7H,2,8-17H2,1H3
InChIKey
DWHRQWZBDFTFSM-UHFFFAOYSA-N
Compound name
1-[1-(2-morpholin-4-ylethyl)-4-phenylpiperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 183.8
[M+Na]+ 353.219958 184.7
[M-H]- 329.223464 188.7
[M+NH4]+ 348.264563 194.1
[M+K]+ 369.193898 182.1
[M+H-H2O]+ 313.228000 172.5
[M+HCOO]- 375.228941 194.7
[M+CH3COO]- 389.244591 208.2
[M+Na-2H]- 351.205406 184.6
[M]+ 330.23019142 177.3
[M]- 330.23128858 177.3
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.