CID 135484943

Nsc677930

Structural Information

Molecular Formula
C23H16N2O8
SMILES
C1=CC(=CC(=C1)C(=O)O)/C=C/C2=C(C=C(C=C2)N=NC3=C(C=C(C=C3O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C23H16N2O8/c26-16-10-18(23(32)33)20(19(27)11-16)25-24-15-7-6-13(17(9-15)22(30)31)5-4-12-2-1-3-14(8-12)21(28)29/h1-11,26-27H,(H,28,29)(H,30,31)(H,32,33)/b5-4+,25-24?
InChIKey
WQONNBCWQNCJGM-CLXWQZHUSA-N
Compound name
2-[[3-carboxy-4-[(E)-2-(3-carboxyphenyl)ethenyl]phenyl]diazenyl]-3,5-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.09067 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.09795 200.6
[M+Na]+ 471.07989 205.4
[M-H]- 447.08339 207.0
[M+NH4]+ 466.12449 205.8
[M+K]+ 487.05383 202.5
[M+H-H2O]+ 431.08793 190.5
[M+HCOO]- 493.08887 219.6
[M+CH3COO]- 507.10452 232.4
[M+Na-2H]- 469.06534 199.1
[M]+ 448.09012 201.4
[M]- 448.09122 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.