CID 98048221

171925-24-9

Structural Information

Molecular Formula
C29H26N4O6
SMILES
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1OC(=O)C3=CC=CC=C3)N=[N+]=[N-])OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H26N4O6/c30-32-31-24-25-22(37-27(34)19-10-4-1-5-11-19)16-17-33(25)18-23(38-28(35)20-12-6-2-7-13-20)26(24)39-29(36)21-14-8-3-9-15-21/h1-15,22-26H,16-18H2/t22-,23-,24+,25+,26+/m0/s1
InChIKey
GLDFNAWCGBRXCE-FZPKUJNRSA-N
Compound name
[(1S,6S,7S,8R,8aS)-8-azido-6,7-dibenzoyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.18524 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.19252 221.8
[M+Na]+ 549.17446 232.9
[M+NH4]+ 544.21906 226.7
[M+K]+ 565.14840 230.0
[M-H]- 525.17796 230.3
[M+Na-2H]- 547.15991 229.2
[M]+ 526.18469 225.2
[M]- 526.18579 225.2
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.