CID 154700081

Ns00117791

Structural Information

Molecular Formula
C18H18N2O7
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI
InChI=1S/C18H18N2O7/c21-13-14(22)16(17(24)25)27-18(15(13)23)26-12-8-6-11(7-9-12)20-19-10-4-2-1-3-5-10/h1-9,13-16,18,21-23H,(H,24,25)/t13-,14-,15+,16-,18?/m0/s1
InChIKey
XDYRXDLTQRIZHD-PDHYLSHYSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-phenyldiazenylphenoxy)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

374.1114 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.118676 183.0
[M+Na]+ 397.100618 187.3
[M-H]- 373.104124 190.8
[M+NH4]+ 392.145223 190.9
[M+K]+ 413.074558 186.3
[M+H-H2O]+ 357.108660 173.3
[M+HCOO]- 419.109601 201.6
[M+CH3COO]- 433.125251 217.8
[M+Na-2H]- 395.086066 185.2
[M]+ 374.11085142 182.1
[M]- 374.11194858 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.