CID 3024479

3105 i.s.

Structural Information

Molecular Formula
C19H28N2O
SMILES
C1CCN(CC1)CCN2CCC(CC2)(C=O)C3=CC=CC=C3
InChI
InChI=1S/C19H28N2O/c22-17-19(18-7-3-1-4-8-18)9-13-21(14-10-19)16-15-20-11-5-2-6-12-20/h1,3-4,7-8,17H,2,5-6,9-16H2
InChIKey
VDFSCYRXDJMMMR-UHFFFAOYSA-N
Compound name
4-phenyl-1-(2-piperidin-1-ylethyl)piperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 178.3
[M+Na]+ 323.20937 190.3
[M+NH4]+ 318.25397 187.9
[M+K]+ 339.18331 179.5
[M-H]- 299.21287 183.5
[M+Na-2H]- 321.19482 187.1
[M]+ 300.21960 181.6
[M]- 300.22070 181.6
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.