CID 43984

1-butanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H33ClN2O2
SMILES
CCCC(=O)C1(CCN(CC1)CCCN2CCOCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C22H33ClN2O2/c1-2-5-21(26)22(19-6-3-7-20(23)18-19)8-12-24(13-9-22)10-4-11-25-14-16-27-17-15-25/h3,6-7,18H,2,4-5,8-17H2,1H3
InChIKey
CBGSATFCERPADG-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ylpropyl)piperidin-4-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22305 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23033 198.4
[M+Na]+ 415.21227 200.1
[M-H]- 391.21577 203.0
[M+NH4]+ 410.25687 207.3
[M+K]+ 431.18621 195.4
[M+H-H2O]+ 375.22031 187.2
[M+HCOO]- 437.22125 204.0
[M+CH3COO]- 451.23690 218.7
[M+Na-2H]- 413.19772 197.0
[M]+ 392.22250 195.2
[M]- 392.22360 195.2
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.