CID 67268

Zincon

Structural Information

Molecular Formula
C20H16N4O6S
SMILES
C1=CC=C(C=C1)C(=NNC2=C(C=CC(=C2)S(=O)(=O)O)O)N=NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,22,25H,(H,26,27)(H,28,29,30)
InChIKey
OWQUYBAASOSGNO-UHFFFAOYSA-N
Compound name
2-[[N-(2-hydroxy-5-sulfoanilino)-C-phenylcarbonimidoyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

911
Patents

440.07904 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08632 196.9
[M+Na]+ 463.06826 205.7
[M+NH4]+ 458.11286 200.4
[M+K]+ 479.04220 200.3
[M-H]- 439.07176 201.4
[M+Na-2H]- 461.05371 205.2
[M]+ 440.07849 199.3
[M]- 440.07959 199.3
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

patents stripe