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 183.0
[M+Na]+ 398.08465 191.1
[M-H]- 374.08815 187.0
[M+NH4]+ 393.12925 190.3
[M+K]+ 414.05859 189.7
[M+H-H2O]+ 358.09269 174.0
[M+HCOO]- 420.09363 193.0
[M+CH3COO]- 434.10928 191.8
[M+Na-2H]- 396.07010 187.4
[M]+ 375.09488 185.1
[M]- 375.09598 185.1
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.