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]+ 331.23802 183.8
[M+Na]+ 353.21996 184.7
[M-H]- 329.22346 188.7
[M+NH4]+ 348.26456 194.1
[M+K]+ 369.19390 182.1
[M+H-H2O]+ 313.22800 172.5
[M+HCOO]- 375.22894 194.7
[M+CH3COO]- 389.24459 208.2
[M+Na-2H]- 351.20541 184.6
[M]+ 330.23019 177.3
[M]- 330.23129 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.