CID 3021766

Piperidine, 4,4-diphenyl-1-hexyl-, hydrochloride

Structural Information

Molecular Formula
C23H31N
SMILES
CCCCCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H31N/c1-2-3-4-11-18-24-19-16-23(17-20-24,21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15H,2-4,11,16-20H2,1H3
InChIKey
DDZQOMHATPDSHA-UHFFFAOYSA-N
Compound name
1-hexyl-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.24564 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.25292 183.2
[M+Na]+ 344.23486 186.0
[M-H]- 320.23836 189.4
[M+NH4]+ 339.27946 197.0
[M+K]+ 360.20880 179.9
[M+H-H2O]+ 304.24290 172.3
[M+HCOO]- 366.24384 200.1
[M+CH3COO]- 380.25949 191.7
[M+Na-2H]- 342.22031 185.8
[M]+ 321.24509 179.2
[M]- 321.24619 179.2
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