CID 136086476

Einecs 306-304-2

Structural Information

Molecular Formula
C24H19N5O8S2
SMILES
CC(=O)NC1=CC2=CC(=C(C(=C2C=C1)O)N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H19N5O8S2/c1-14(30)25-19-8-11-21-15(12-19)13-22(39(35,36)37)23(24(21)31)29-28-17-4-2-16(3-5-17)26-27-18-6-9-20(10-7-18)38(32,33)34/h2-13,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37)
InChIKey
IDXVLFTVLQRJDK-UHFFFAOYSA-N
Compound name
7-acetamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.0675 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.074776 224.9
[M+Na]+ 592.056718 228.9
[M-H]- 568.060224 234.6
[M+NH4]+ 587.101323 227.8
[M+K]+ 608.030658 225.2
[M+H-H2O]+ 552.064760 213.9
[M+HCOO]- 614.065701 240.0
[M+CH3COO]- 628.081351 261.2
[M+Na-2H]- 590.042166 235.7
[M]+ 569.06695142 230.6
[M]- 569.06804858 230.6
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.