CID 43980

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

Structural Information

Molecular Formula
C23H35ClN2O
SMILES
CCCC(=O)C1(CCN(CC1)CCCN2CCCCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H35ClN2O/c1-2-8-22(27)23(20-9-6-10-21(24)19-20)11-17-26(18-12-23)16-7-15-25-13-4-3-5-14-25/h6,9-10,19H,2-5,7-8,11-18H2,1H3
InChIKey
GMNROGKNTCWQSJ-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ylpropyl)piperidin-4-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.2438 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25108 199.3
[M+Na]+ 413.23302 200.5
[M-H]- 389.23652 203.0
[M+NH4]+ 408.27762 209.6
[M+K]+ 429.20696 193.9
[M+H-H2O]+ 373.24106 188.0
[M+HCOO]- 435.24200 205.3
[M+CH3COO]- 449.25765 219.5
[M+Na-2H]- 411.21847 196.6
[M]+ 390.24325 194.3
[M]- 390.24435 194.3
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.