CID 10895628

156205-44-6

Structural Information

Molecular Formula
C22H27NO9
SMILES
CC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)OC(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H27NO9/c1-13(24)29-17-9-10-23-11-18(32-22(27)28-12-16-7-5-4-6-8-16)20(30-14(2)25)21(19(17)23)31-15(3)26/h4-8,17-21H,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m0/s1
InChIKey
KTKNLVFZLSJAAZ-WRTQPQOASA-N
Compound name
[(1S,6S,7R,8R,8aR)-7,8-diacetyloxy-6-phenylmethoxycarbonyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.175856 200.1
[M+Na]+ 472.157798 202.4
[M-H]- 448.161304 205.0
[M+NH4]+ 467.202403 209.5
[M+K]+ 488.131738 203.2
[M+H-H2O]+ 432.165840 192.0
[M+HCOO]- 494.166781 213.4
[M+CH3COO]- 508.182431 228.8
[M+Na-2H]- 470.143246 195.1
[M]+ 449.16803142 205.2
[M]- 449.16912858 205.2
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.