CID 90469852

136565-96-3

Structural Information

Molecular Formula
C18H17NO8
SMILES
C1=CC2=C(C=C1O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC4=CC(=O)C=CC4=N2
InChI
InChI=1S/C18H17NO8/c20-7-14-15(22)16(23)17(24)18(27-14)25-9-2-4-11-13(6-9)26-12-5-8(21)1-3-10(12)19-11/h1-6,14-18,20,22-24H,7H2/t14-,15-,16+,17-,18+/m1/s1
InChIKey
QULZFZMEBOATFS-SFFUCWETSA-N
Compound name
7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09543 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10271 184.8
[M+Na]+ 398.08465 198.1
[M+NH4]+ 393.12925 189.7
[M+K]+ 414.05859 194.5
[M-H]- 374.08815 188.8
[M+Na-2H]- 396.07010 186.2
[M]+ 375.09488 187.6
[M]- 375.09598 187.6
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.