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
2
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]+ 441.129256 198.3
[M+Na]+ 463.111198 202.8
[M-H]- 439.114704 205.7
[M+NH4]+ 458.155803 203.8
[M+K]+ 479.085138 201.6
[M+H-H2O]+ 423.119240 188.1
[M+HCOO]- 485.120181 213.5
[M+CH3COO]- 499.135831 231.4
[M+Na-2H]- 461.096646 200.2
[M]+ 440.12143142 198.1
[M]- 440.12252858 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.