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]+ 450.17586 200.1
[M+Na]+ 472.15780 202.4
[M-H]- 448.16130 205.0
[M+NH4]+ 467.20240 209.5
[M+K]+ 488.13174 203.2
[M+H-H2O]+ 432.16584 192.0
[M+HCOO]- 494.16678 213.4
[M+CH3COO]- 508.18243 228.8
[M+Na-2H]- 470.14325 195.1
[M]+ 449.16803 205.2
[M]- 449.16913 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.