CID 59116143

1-(1-methyl-3,3-diphenylpropyl)piperidine hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H27N/c1-18(22-15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3
InChIKey
AEVKYUNBJONFHN-UHFFFAOYSA-N
Compound name
1-(4,4-diphenylbutan-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.21436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 173.6
[M+Na]+ 316.20358 174.6
[M-H]- 292.20708 179.5
[M+NH4]+ 311.24818 186.0
[M+K]+ 332.17752 169.7
[M+H-H2O]+ 276.21162 163.2
[M+HCOO]- 338.21256 189.1
[M+CH3COO]- 352.22821 182.0
[M+Na-2H]- 314.18903 174.9
[M]+ 293.21381 167.1
[M]- 293.21491 167.1
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