CID 3047551

Quinuclidinol, alpha-allyldiphenylacetate hydrochloride

Structural Information

Molecular Formula
C24H27NO2
SMILES
C=CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CCN3CC4
InChI
InChI=1S/C24H27NO2/c1-2-15-24(20-9-5-3-6-10-20,21-11-7-4-8-12-21)23(26)27-22-18-19-13-16-25(22)17-14-19/h2-12,19,22H,1,13-18H2
InChIKey
CHQULLMSEZWQBQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-2-yl 2,2-diphenylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 186.6
[M+Na]+ 384.19342 186.6
[M-H]- 360.19692 186.3
[M+NH4]+ 379.23802 200.7
[M+K]+ 400.16736 181.4
[M+H-H2O]+ 344.20146 176.9
[M+HCOO]- 406.20240 193.0
[M+CH3COO]- 420.21805 192.4
[M+Na-2H]- 382.17887 194.4
[M]+ 361.20365 185.9
[M]- 361.20475 185.9
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.