CID 119983

28566-83-8

Structural Information

Molecular Formula
C16H13N3O11S3
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N)O)O
InChI
InChI=1S/C16H13N3O11S3/c17-10-5-9(32(25,26)27)3-7-4-13(33(28,29)30)15(16(21)14(7)10)19-18-11-6-8(31(22,23)24)1-2-12(11)20/h1-6,20-21H,17H2,(H,22,23,24)(H,25,26,27)(H,28,29,30)
InChIKey
HAIMEEBRQYGMSM-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

518.9712 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.97848 207.3
[M+Na]+ 541.96042 212.0
[M+NH4]+ 537.00502 207.5
[M+K]+ 557.93436 208.7
[M-H]- 517.96392 205.0
[M+Na-2H]- 539.94587 209.4
[M]+ 518.97065 208.0
[M]- 518.97175 208.0
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

patents stripe