CID 3046537

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

Structural Information

Molecular Formula
C23H35ClN2O2
SMILES
CCCCC(=O)C1(CCN(CC1)CCCN2CCOCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H35ClN2O2/c1-2-3-8-22(27)23(20-6-4-7-21(24)19-20)9-13-25(14-10-23)11-5-12-26-15-17-28-18-16-26/h4,6-7,19H,2-3,5,8-18H2,1H3
InChIKey
PHMLLAHZUFRHMJ-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ylpropyl)piperidin-4-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2387 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24598 202.7
[M+Na]+ 429.22792 203.9
[M-H]- 405.23142 207.1
[M+NH4]+ 424.27252 211.0
[M+K]+ 445.20186 199.0
[M+H-H2O]+ 389.23596 191.3
[M+HCOO]- 451.23690 207.9
[M+CH3COO]- 465.25255 221.6
[M+Na-2H]- 427.21337 200.7
[M]+ 406.23815 199.8
[M]- 406.23925 199.8
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.