CID 59653

102585-81-9

Structural Information

Molecular Formula
C23H27NO3
SMILES
C1CC2CC(CC(C1)N2CC3COC4=CC=CC=C4O3)(C5=CC=CC=C5)O
InChI
InChI=1S/C23H27NO3/c25-23(17-7-2-1-3-8-17)13-18-9-6-10-19(14-23)24(18)15-20-16-26-21-11-4-5-12-22(21)27-20/h1-5,7-8,11-12,18-20,25H,6,9-10,13-16H2
InChIKey
KTMZFYSWBIJTHZ-UHFFFAOYSA-N
Compound name
9-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 191.4
[M+Na]+ 388.18832 205.6
[M+NH4]+ 383.23292 202.2
[M+K]+ 404.16226 194.9
[M-H]- 364.19182 200.1
[M+Na-2H]- 386.17377 197.2
[M]+ 365.19855 196.2
[M]- 365.19965 196.2
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.