CID 96727

26979-21-5

Structural Information

Molecular Formula
C19H21NO
SMILES
C1CN(CCC1(C=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H21NO/c21-16-19(18-9-5-2-6-10-18)11-13-20(14-12-19)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
InChIKey
ZBQJTCFWWZXZBG-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

279.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.169596 168.1
[M+Na]+ 302.151538 172.9
[M-H]- 278.155044 175.2
[M+NH4]+ 297.196143 183.6
[M+K]+ 318.125478 167.8
[M+H-H2O]+ 262.159580 158.1
[M+HCOO]- 324.160521 186.9
[M+CH3COO]- 338.176171 178.3
[M+Na-2H]- 300.136986 173.0
[M]+ 279.16177142 163.6
[M]- 279.16286858 163.6
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

patents stripe