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 176.7
[M+Na]+ 323.20937 178.2
[M-H]- 299.21287 180.9
[M+NH4]+ 318.25397 189.5
[M+K]+ 339.18331 173.6
[M+H-H2O]+ 283.21741 165.3
[M+HCOO]- 345.21835 189.6
[M+CH3COO]- 359.23400 184.3
[M+Na-2H]- 321.19482 178.3
[M]+ 300.21960 168.3
[M]- 300.22070 168.3
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.