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]+ 335.13500 177.7
[M+Na]+ 357.11694 180.3
[M-H]- 333.12044 187.2
[M+NH4]+ 352.16154 186.7
[M+K]+ 373.09088 176.5
[M+H-H2O]+ 317.12498 172.7
[M+HCOO]- 379.12592 197.3
[M+CH3COO]- 393.14157 213.1
[M+Na-2H]- 355.10239 186.0
[M]+ 334.12717 173.3
[M]- 334.12827 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.