CID 201480

Piperidine, 1-(4-(diphenylmethoxy)-2-butynyl)-, hydrochloride

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CCN(CC1)CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO/c1-4-12-20(13-5-1)22(21-14-6-2-7-15-21)24-19-11-10-18-23-16-8-3-9-17-23/h1-2,4-7,12-15,22H,3,8-9,16-19H2
InChIKey
JGWFIDUSTLFPNG-UHFFFAOYSA-N
Compound name
1-(4-benzhydryloxybut-2-ynyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 180.1
[M+Na]+ 342.182818 185.1
[M-H]- 318.186324 183.0
[M+NH4]+ 337.227423 189.9
[M+K]+ 358.156758 176.0
[M+H-H2O]+ 302.190860 163.7
[M+HCOO]- 364.191801 191.2
[M+CH3COO]- 378.207451 186.6
[M+Na-2H]- 340.168266 180.8
[M]+ 319.19305142 169.9
[M]- 319.19414858 169.9
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

No patent data available for this compound.