CID 380299

Nsc665779

Structural Information

Molecular Formula
C24H29NO3
SMILES
CCC1C(C2CCN1CC2)OC(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H29NO3/c1-2-21-23(18-13-15-25(21)16-14-18)28-22(26)17-24(27,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,23,27H,2,13-17H2,1H3
InChIKey
LGCQVJSQUJNJEC-UHFFFAOYSA-N
Compound name
(2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 3-hydroxy-3,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 191.3
[M+Na]+ 402.20397 191.4
[M-H]- 378.20747 190.0
[M+NH4]+ 397.24857 204.4
[M+K]+ 418.17791 186.9
[M+H-H2O]+ 362.21201 182.2
[M+HCOO]- 424.21295 196.2
[M+CH3COO]- 438.22860 196.7
[M+Na-2H]- 400.18942 198.5
[M]+ 379.21420 191.5
[M]- 379.21530 191.5
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

No patent data available for this compound.