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]+ 362.211476 186.6
[M+Na]+ 384.193418 186.6
[M-H]- 360.196924 186.3
[M+NH4]+ 379.238023 200.7
[M+K]+ 400.167358 181.4
[M+H-H2O]+ 344.201460 176.9
[M+HCOO]- 406.202401 193.0
[M+CH3COO]- 420.218051 192.4
[M+Na-2H]- 382.178866 194.4
[M]+ 361.20365142 185.9
[M]- 361.20474858 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.