CID 207980

Piperidine, 4,4-diphenyl-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H21N
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N/c1-19-14-12-18(13-15-19,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKey
KNCYRTOZAIAEPJ-UHFFFAOYSA-N
Compound name
1-methyl-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

251.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 161.1
[M+Na]+ 274.15662 166.2
[M-H]- 250.16012 168.4
[M+NH4]+ 269.20122 177.9
[M+K]+ 290.13056 161.3
[M+H-H2O]+ 234.16466 151.4
[M+HCOO]- 296.16560 179.9
[M+CH3COO]- 310.18125 171.9
[M+Na-2H]- 272.14207 166.5
[M]+ 251.16685 155.6
[M]- 251.16795 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe