CID 173447

75627-19-9

Structural Information

Molecular Formula
C23H20N4O8S2
SMILES
COC1=C(C=CC(=C1)N)N=NC2=C(C=C3C=CC(=CC3=C2O)NC4=CC(=CC=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C23H20N4O8S2/c1-35-20-10-14(24)6-8-19(20)26-27-22-21(37(32,33)34)9-13-5-7-16(12-18(13)23(22)28)25-15-3-2-4-17(11-15)36(29,30)31/h2-12,25,28H,24H2,1H3,(H,29,30,31)(H,32,33,34)
InChIKey
PZCJXFKUNIYUTQ-UHFFFAOYSA-N
Compound name
3-[(4-amino-2-methoxyphenyl)diazenyl]-4-hydroxy-6-(3-sulfoanilino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

544.07227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.07955 217.9
[M+Na]+ 567.06149 226.9
[M+NH4]+ 562.10609 220.7
[M+K]+ 583.03543 220.5
[M-H]- 543.06499 221.9
[M+Na-2H]- 565.04694 225.0
[M]+ 544.07172 220.9
[M]- 544.07282 220.9
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.