CID 3065112

2-propen-1-ol, 1,1-diphenyl-3-(3-quinuclidinyl)-, hydrochloride

Structural Information

Molecular Formula
C22H23NO
SMILES
C1CN2CCC1C(C2)C#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H23NO/c24-22(20-7-3-1-4-8-20,21-9-5-2-6-10-21)14-11-19-17-23-15-12-18(19)13-16-23/h1-10,18-19,24H,12-13,15-17H2
InChIKey
JZBPAABWDQDOMS-UHFFFAOYSA-N
Compound name
3-(1-azabicyclo[2.2.2]octan-3-yl)-1,1-diphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.17798 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18526 182.5
[M+Na]+ 340.16720 188.5
[M-H]- 316.17070 180.1
[M+NH4]+ 335.21180 196.5
[M+K]+ 356.14114 175.4
[M+H-H2O]+ 300.17524 168.9
[M+HCOO]- 362.17618 184.9
[M+CH3COO]- 376.19183 187.7
[M+Na-2H]- 338.15265 189.6
[M]+ 317.17743 174.5
[M]- 317.17853 174.5
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

patents stripe