CID 120501

Dipheridin

Structural Information

Molecular Formula
C21H23NO
SMILES
C1CCN(CC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H23NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-9,16-18H2
InChIKey
MGWAMKURIHGGNO-UHFFFAOYSA-N
Compound name
1,1-diphenyl-4-piperidin-1-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

22
Patents

305.17798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 180.2
[M+Na]+ 328.167198 185.8
[M-H]- 304.170704 182.3
[M+NH4]+ 323.211803 190.1
[M+K]+ 344.141138 176.4
[M+H-H2O]+ 288.175240 164.7
[M+HCOO]- 350.176181 189.7
[M+CH3COO]- 364.191831 186.5
[M+Na-2H]- 326.152646 182.4
[M]+ 305.17743142 168.2
[M]- 305.17852858 168.2
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