CID 3021761

1-butyl-4,4-diphenylpiperidine hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
CCCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-2-3-16-22-17-14-21(15-18-22,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13H,2-3,14-18H2,1H3
InChIKey
RVXRANSSBTYWAG-UHFFFAOYSA-N
Compound name
1-butyl-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

293.21436 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 174.4
[M+Na]+ 316.203578 178.1
[M-H]- 292.207084 181.1
[M+NH4]+ 311.248183 189.5
[M+K]+ 332.177518 172.5
[M+H-H2O]+ 276.211620 164.0
[M+HCOO]- 338.212561 192.1
[M+CH3COO]- 352.228211 183.8
[M+Na-2H]- 314.189026 178.1
[M]+ 293.21381142 169.8
[M]- 293.21490858 169.8
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