CID 16159

Ksd 2240

Structural Information

Molecular Formula
C24H29NO3
SMILES
C1CC2CCCC(C1)N2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H29NO3/c26-23(28-18-17-25-21-13-7-14-22(25)16-8-15-21)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22,27H,7-8,13-18H2
InChIKey
HNVBUDCGAROXSW-UHFFFAOYSA-N
Compound name
2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.222026 192.4
[M+Na]+ 402.203968 192.8
[M-H]- 378.207474 196.1
[M+NH4]+ 397.248573 202.1
[M+K]+ 418.177908 187.6
[M+H-H2O]+ 362.212010 182.0
[M+HCOO]- 424.212951 202.1
[M+CH3COO]- 438.228601 215.8
[M+Na-2H]- 400.189416 195.4
[M]+ 379.21420142 186.9
[M]- 379.21529858 186.9
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

No patent data available for this compound.