CID 167530376

Duuqxqvbbheyis-uhfffaoysa-n

Structural Information

Molecular Formula
C22H20N2O8
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)OC4C(C(C(C(O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C22H20N2O8/c25-15-10-5-11-3-1-2-4-14(11)16(15)24-23-12-6-8-13(9-7-12)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h1-10,17-20,22,25-28H,(H,29,30)
InChIKey
DUUQXQVBBHEYIS-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-6-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenoxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.12198 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12926 201.7
[M+Na]+ 463.11120 212.5
[M+NH4]+ 458.15580 205.7
[M+K]+ 479.08514 208.9
[M-H]- 439.11470 207.1
[M+Na-2H]- 461.09665 205.5
[M]+ 440.12143 204.4
[M]- 440.12253 204.4
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.