CID 4614205

1-(2-hydroxy-6-sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid

Structural Information

Molecular Formula
C20H14N2O11S3
SMILES
C1=CC2=C(C=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)O)C=C1S(=O)(=O)O
InChI
InChI=1S/C20H14N2O11S3/c23-16-6-1-10-7-12(34(25,26)27)2-4-14(10)18(16)21-22-19-15-5-3-13(35(28,29)30)8-11(15)9-17(20(19)24)36(31,32)33/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)
InChIKey
MFSTXKTXCOJDPY-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

553.97595 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.98323 215.9
[M+Na]+ 576.96517 220.9
[M-H]- 552.96867 217.4
[M+NH4]+ 572.00977 218.4
[M+K]+ 592.93911 215.9
[M+H-H2O]+ 536.97321 208.5
[M+HCOO]- 598.97415 218.2
[M+CH3COO]- 612.98980 241.4
[M+Na-2H]- 574.95062 230.9
[M]+ 553.97540 222.3
[M]- 553.97650 222.3
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.