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]+ 380.22203 192.4
[M+Na]+ 402.20397 192.8
[M-H]- 378.20747 196.1
[M+NH4]+ 397.24857 202.1
[M+K]+ 418.17791 187.6
[M+H-H2O]+ 362.21201 182.0
[M+HCOO]- 424.21295 202.1
[M+CH3COO]- 438.22860 215.8
[M+Na-2H]- 400.18942 195.4
[M]+ 379.21420 186.9
[M]- 379.21530 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.