CID 112806

62106-17-6

Structural Information

Molecular Formula
C20H14N2O8S2
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)O)O
InChI
InChI=1S/C20H14N2O8S2/c23-16-10-13(31(25,26)27)8-12-9-17(32(28,29)30)19(20(24)18(12)16)22-21-15-7-3-5-11-4-1-2-6-14(11)15/h1-10,23-24H,(H,25,26,27)(H,28,29,30)
InChIKey
NMBIMCYCRFBUAF-UHFFFAOYSA-N
Compound name
4,5-dihydroxy-3-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9
Patents

474.01917 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.02645 201.8
[M+Na]+ 497.00839 213.4
[M+NH4]+ 492.05299 206.1
[M+K]+ 512.98233 206.1
[M-H]- 473.01189 203.8
[M+Na-2H]- 494.99384 208.2
[M]+ 474.01862 204.8
[M]- 474.01972 204.8
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