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]+ 301.227426 175.7
[M+Na]+ 323.209368 174.7
[M-H]- 299.212874 179.4
[M+NH4]+ 318.253973 186.1
[M+K]+ 339.183308 170.7
[M+H-H2O]+ 283.217410 164.3
[M+HCOO]- 345.218351 186.6
[M+CH3COO]- 359.234001 202.6
[M+Na-2H]- 321.194816 175.0
[M]+ 300.21960142 165.4
[M]- 300.22069858 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.