CID 3046535

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

Structural Information

Molecular Formula
C21H31ClN2O2
SMILES
CCC(=O)C1(CCN(CC1)CCCN2CCOCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H31ClN2O2/c1-2-20(25)21(18-5-3-6-19(22)17-18)7-11-23(12-8-21)9-4-10-24-13-15-26-16-14-24/h3,5-6,17H,2,4,7-16H2,1H3
InChIKey
LKFAWNWPSQSICE-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ylpropyl)piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.2074 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21468 194.1
[M+Na]+ 401.19662 196.2
[M-H]- 377.20012 198.9
[M+NH4]+ 396.24122 203.6
[M+K]+ 417.17056 191.8
[M+H-H2O]+ 361.20466 183.2
[M+HCOO]- 423.20560 200.1
[M+CH3COO]- 437.22125 215.8
[M+Na-2H]- 399.18207 193.2
[M]+ 378.20685 190.5
[M]- 378.20795 190.5
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.