CID 156597169

99541-26-1

Structural Information

Molecular Formula
C29H33N3O11
SMILES
CC(=O)O[C@@H]1[C@H]([C@H]2OC[C@H](C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N=[N+]=[N-]
InChI
InChI=1S/C29H33N3O11/c1-16(33)40-23-20(31-32-30)28-39-15-19(41-28)22(23)42-29-26(38-14-18-11-7-4-8-12-18)24(21(34)25(43-29)27(35)36-2)37-13-17-9-5-3-6-10-17/h3-12,19-26,28-29,34H,13-15H2,1-2H3/t19-,20-,21+,22?,23-,24+,25+,26-,28+,29-/m1/s1
InChIKey
ZLSPZMMAVWCECA-MHGFRSCXSA-N
Compound name
methyl (2S,3S,4S,5R,6R)-6-[[(1R,3R,4R,5S)-3-acetyloxy-4-azido-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-3-hydroxy-4,5-bis(phenylmethoxy)oxane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.2115 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.21878 237.8
[M+Na]+ 622.20072 235.0
[M-H]- 598.20422 250.5
[M+NH4]+ 617.24532 236.8
[M+K]+ 638.17466 233.9
[M+H-H2O]+ 582.20876 230.9
[M+HCOO]- 644.20970 251.0
[M+CH3COO]- 658.22535 260.6
[M+Na-2H]- 620.18617 239.7
[M]+ 599.21095 240.7
[M]- 599.21205 240.7
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.