CID 3071149

Brn 5618650

Structural Information

Molecular Formula
C24H29NO2
SMILES
CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4
InChI
InChI=1S/C24H29NO2/c1-2-15-24(20-9-5-3-6-10-20,21-11-7-4-8-12-21)23(26)27-22-18-25-16-13-19(22)14-17-25/h3-12,19,22H,2,13-18H2,1H3
InChIKey
VFFFDVTXOZYRIT-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.21982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 187.8
[M+Na]+ 386.20904 187.5
[M-H]- 362.21254 187.5
[M+NH4]+ 381.25364 201.9
[M+K]+ 402.18298 182.9
[M+H-H2O]+ 346.21708 178.0
[M+HCOO]- 408.21802 194.0
[M+CH3COO]- 422.23367 193.6
[M+Na-2H]- 384.19449 195.6
[M]+ 363.21927 187.8
[M]- 363.22037 187.8
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

No patent data available for this compound.