CID 209994

Brn 1401417

Structural Information

Molecular Formula
C23H27NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-24-19-12-13-20(24)16-21(15-19)26-23(25)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,19-22H,12-16H2,1H3
InChIKey
ZJZJMPJTPLKUIF-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

349.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 186.8
[M+Na]+ 372.19342 189.4
[M-H]- 348.19692 192.9
[M+NH4]+ 367.23802 200.8
[M+K]+ 388.16736 184.4
[M+H-H2O]+ 332.20146 177.2
[M+HCOO]- 394.20240 201.1
[M+CH3COO]- 408.21805 195.1
[M+Na-2H]- 370.17887 185.6
[M]+ 349.20365 183.9
[M]- 349.20475 183.9
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

patents stripe