CID 64821

7032-63-5

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCN(CC1)C(CC(=O)N2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/c22-19(21-14-8-3-9-15-21)16-18(17-10-4-1-5-11-17)20-12-6-2-7-13-20/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKey
HBIMOWZKRHKHCZ-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-di(piperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 175.7
[M+Na]+ 323.20937 174.7
[M-H]- 299.21287 179.4
[M+NH4]+ 318.25397 186.1
[M+K]+ 339.18331 170.7
[M+H-H2O]+ 283.21741 164.3
[M+HCOO]- 345.21835 186.6
[M+CH3COO]- 359.23400 202.6
[M+Na-2H]- 321.19482 175.0
[M]+ 300.21960 165.4
[M]- 300.22070 165.4
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.