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
1
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]+ 375.11868 183.0
[M+Na]+ 397.10062 187.3
[M-H]- 373.10412 190.8
[M+NH4]+ 392.14522 190.9
[M+K]+ 413.07456 186.3
[M+H-H2O]+ 357.10866 173.3
[M+HCOO]- 419.10960 201.6
[M+CH3COO]- 433.12525 217.8
[M+Na-2H]- 395.08607 185.2
[M]+ 374.11085 182.1
[M]- 374.11195 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.