CID 7289584

168397-51-1

Structural Information

Molecular Formula
C15H18N4O5
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1N=[N+]=[N-])O
InChI
InChI=1S/C15H18N4O5/c1-8(20)17-11-12(21)13-10(23-14(11)18-19-16)7-22-15(24-13)9-5-3-2-4-6-9/h2-6,10-15,21H,7H2,1H3,(H,17,20)/t10-,11-,12-,13-,14-,15-/m1/s1
InChIKey
PEVZMZIOLKXJNJ-BXLXJSPXSA-N
Compound name
N-[(2R,4aR,6R,7R,8R,8aS)-6-azido-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12772 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.134996 177.7
[M+Na]+ 357.116938 180.3
[M-H]- 333.120444 187.2
[M+NH4]+ 352.161543 186.7
[M+K]+ 373.090878 176.5
[M+H-H2O]+ 317.124980 172.7
[M+HCOO]- 379.125921 197.3
[M+CH3COO]- 393.141571 213.1
[M+Na-2H]- 355.102386 186.0
[M]+ 334.12717142 173.3
[M]- 334.12826858 173.3
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.