CID 97545952

156150-89-9

Structural Information

Molecular Formula
C29H33NO4
SMILES
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1OCC3=CC=CC=C3)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C29H33NO4/c31-28-27-25(32-19-22-10-4-1-5-11-22)16-17-30(27)18-26(33-20-23-12-6-2-7-13-23)29(28)34-21-24-14-8-3-9-15-24/h1-15,25-29,31H,16-21H2/t25-,26-,27+,28+,29+/m0/s1
InChIKey
UBDKXRZKMHQDHG-MUPNWXRXSA-N
Compound name
(1S,6S,7S,8R,8aS)-1,6,7-tris(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.24097 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24825 217.1
[M+Na]+ 482.23019 230.8
[M+NH4]+ 477.27479 224.8
[M+K]+ 498.20413 222.7
[M-H]- 458.23369 224.8
[M+Na-2H]- 480.21564 224.9
[M]+ 459.24042 221.3
[M]- 459.24152 221.3
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.