CID 62623

Acid red 106

Structural Information

Molecular Formula
C23H19N3O9S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=CC=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C23H19N3O9S3/c1-14-7-9-17(10-8-14)36(28,29)26-19-13-18(37(30,31)32)11-15-12-20(38(33,34)35)22(23(27)21(15)19)25-24-16-5-3-2-4-6-16/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35)
InChIKey
HLKZQPNLIIVOFX-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

24
Patents

577.0283 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.03558 221.4
[M+Na]+ 600.01752 229.6
[M+NH4]+ 595.06212 223.6
[M+K]+ 615.99146 222.4
[M-H]- 576.02102 223.7
[M+Na-2H]- 598.00297 228.6
[M]+ 577.02775 224.3
[M]- 577.02885 224.3
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

patents stripe