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 212.5
[M+Na]+ 482.23019 214.3
[M-H]- 458.23369 221.4
[M+NH4]+ 477.27479 220.0
[M+K]+ 498.20413 208.1
[M+H-H2O]+ 442.23823 200.2
[M+HCOO]- 504.23917 226.4
[M+CH3COO]- 518.25482 218.6
[M+Na-2H]- 480.21564 210.0
[M]+ 459.24042 210.3
[M]- 459.24152 210.3
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.