CID 15990

1927-12-4

Structural Information

Molecular Formula
C23H27NO3
SMILES
CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H27NO3/c1-24-19-13-8-14-20(24)16-21(15-19)27-22(25)23(26,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21,26H,8,13-16H2,1H3
InChIKey
LSPNRKVJCNRVRR-UHFFFAOYSA-N
Compound name
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 188.7
[M+Na]+ 388.188318 190.4
[M-H]- 364.191824 193.0
[M+NH4]+ 383.232923 199.2
[M+K]+ 404.162258 185.6
[M+H-H2O]+ 348.196360 178.7
[M+HCOO]- 410.197301 198.7
[M+CH3COO]- 424.212951 214.1
[M+Na-2H]- 386.173766 191.5
[M]+ 365.19855142 183.3
[M]- 365.19964858 183.3
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.