CID 32846

1-(1-(2-morpholinoethyl)-4-phenyl-4-piperidyl)-1-butanone dihydrochloride

Structural Information

Molecular Formula
C21H32N2O2
SMILES
CCCC(=O)C1(CCN(CC1)C2=CC=CC=C2)CCN3CCOCC3
InChI
InChI=1S/C21H32N2O2/c1-2-6-20(24)21(9-12-22-15-17-25-18-16-22)10-13-23(14-11-21)19-7-4-3-5-8-19/h3-5,7-8H,2,6,9-18H2,1H3
InChIKey
SFDKATJXXCPQNN-UHFFFAOYSA-N
Compound name
1-[4-(2-morpholin-4-ylethyl)-1-phenylpiperidin-4-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.24637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.25365 188.1
[M+Na]+ 367.23559 188.6
[M-H]- 343.23909 192.8
[M+NH4]+ 362.28019 197.8
[M+K]+ 383.20953 185.7
[M+H-H2O]+ 327.24363 176.6
[M+HCOO]- 389.24457 198.7
[M+CH3COO]- 403.26022 211.1
[M+Na-2H]- 365.22104 188.4
[M]+ 344.24582 181.9
[M]- 344.24692 181.9
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.