CID 23084

Ksd 2598

Structural Information

Molecular Formula
C30H33NO3
SMILES
C1CC2CC(CC(C1)N2CCC3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C30H33NO3/c32-29(30(33,24-13-6-2-7-14-24)25-15-8-3-9-16-25)34-28-21-26-17-10-18-27(22-28)31(26)20-19-23-11-4-1-5-12-23/h1-9,11-16,26-28,33H,10,17-22H2
InChIKey
MBLNYIIHNHIOEF-UHFFFAOYSA-N
Compound name
[9-(2-phenylethyl)-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

455.24603 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.25331 212.3
[M+Na]+ 478.23525 211.7
[M-H]- 454.23875 218.4
[M+NH4]+ 473.27985 218.0
[M+K]+ 494.20919 205.2
[M+H-H2O]+ 438.24329 199.7
[M+HCOO]- 500.24423 220.7
[M+CH3COO]- 514.25988 216.7
[M+Na-2H]- 476.22070 213.6
[M]+ 455.24548 206.0
[M]- 455.24658 206.0
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.