CID 15990

Ksd 2050

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]+ 366.20638 188.7
[M+Na]+ 388.18832 190.4
[M-H]- 364.19182 193.0
[M+NH4]+ 383.23292 199.2
[M+K]+ 404.16226 185.6
[M+H-H2O]+ 348.19636 178.7
[M+HCOO]- 410.19730 198.7
[M+CH3COO]- 424.21295 214.1
[M+Na-2H]- 386.17377 191.5
[M]+ 365.19855 183.3
[M]- 365.19965 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.