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]+ 320.20088 180.1
[M+Na]+ 342.18282 185.1
[M-H]- 318.18632 183.0
[M+NH4]+ 337.22742 189.9
[M+K]+ 358.15676 176.0
[M+H-H2O]+ 302.19086 163.7
[M+HCOO]- 364.19180 191.2
[M+CH3COO]- 378.20745 186.6
[M+Na-2H]- 340.16827 180.8
[M]+ 319.19305 169.9
[M]- 319.19415 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.