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]+ 301.227426 176.7
[M+Na]+ 323.209368 178.2
[M-H]- 299.212874 180.9
[M+NH4]+ 318.253973 189.5
[M+K]+ 339.183308 173.6
[M+H-H2O]+ 283.217410 165.3
[M+HCOO]- 345.218351 189.6
[M+CH3COO]- 359.234001 184.3
[M+Na-2H]- 321.194816 178.3
[M]+ 300.21960142 168.3
[M]- 300.22069858 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.