CID 163420

84696-58-2

Structural Information

Molecular Formula
C19H16N2O7S
SMILES
CCOC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C19H16N2O7S/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24/h3-10,22H,2H2,1H3,(H,23,24)(H,25,26,27)
InChIKey
NFOKQFPKZXLIEL-UHFFFAOYSA-N
Compound name
4-[(4-ethoxy-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

416.0678 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07508 191.8
[M+Na]+ 439.05702 202.6
[M+NH4]+ 434.10162 196.2
[M+K]+ 455.03096 196.8
[M-H]- 415.06052 193.9
[M+Na-2H]- 437.04247 197.3
[M]+ 416.06725 194.1
[M]- 416.06835 194.1
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.