CID 97546065

171925-42-1

Structural Information

Molecular Formula
C30H35NO4
SMILES
CO[C@@H]1[C@H]2[C@H](CCN2C[C@@H]([C@H]1OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C30H35NO4/c1-32-30-28-26(33-20-23-11-5-2-6-12-23)17-18-31(28)19-27(34-21-24-13-7-3-8-14-24)29(30)35-22-25-15-9-4-10-16-25/h2-16,26-30H,17-22H2,1H3/t26-,27-,28+,29+,30+/m0/s1
InChIKey
FYCKFLZKONCLJQ-ATAZIPLOSA-N
Compound name
(1S,6S,7R,8R,8aR)-8-methoxy-1,6,7-tris(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.25662 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.26390 221.2
[M+Na]+ 496.24584 235.2
[M+NH4]+ 491.29044 229.0
[M+K]+ 512.21978 226.5
[M-H]- 472.24934 229.3
[M+Na-2H]- 494.23129 229.3
[M]+ 473.25607 225.6
[M]- 473.25717 225.6
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.