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 198.3
[M+Na]+ 463.11120 202.8
[M-H]- 439.11470 205.7
[M+NH4]+ 458.15580 203.8
[M+K]+ 479.08514 201.6
[M+H-H2O]+ 423.11924 188.1
[M+HCOO]- 485.12018 213.5
[M+CH3COO]- 499.13583 231.4
[M+Na-2H]- 461.09665 200.2
[M]+ 440.12143 198.1
[M]- 440.12253 198.1
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.