CID 19238

Sodium 3-hydroxy-4-((2-hydroxynaphthyl)azo)-7-nitronaphthalene-1-sulphonate

Structural Information

Molecular Formula
C20H13N3O6S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C20H13N3O6S/c24-18-9-5-12-3-1-2-4-14(12)20(18)22-21-17-8-10-19(30(27,28)29)16-11-13(23(25)26)6-7-15(16)17/h1-11,24H,(H,27,28,29)
InChIKey
KAQACUKRKZLBKF-UHFFFAOYSA-N
Compound name
4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.05252 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.05980 189.6
[M+Na]+ 446.04174 196.6
[M-H]- 422.04524 198.3
[M+NH4]+ 441.08634 199.7
[M+K]+ 462.01568 187.9
[M+H-H2O]+ 406.04978 184.5
[M+HCOO]- 468.05072 209.3
[M+CH3COO]- 482.06637 222.2
[M+Na-2H]- 444.02719 201.7
[M]+ 423.05197 193.1
[M]- 423.05307 193.1
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.