CID 135666563

5850-38-4

Structural Information

Molecular Formula
C28H20N6O10S2
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O
InChI
InChI=1S/C28H20N6O10S2/c29-25-24-16(14-22(45(38,39)40)26(25)32-30-17-10-12-18(13-11-17)34(36)37)15-23(46(41,42)43)27(28(24)35)33-31-20-8-4-5-9-21(20)44-19-6-2-1-3-7-19/h1-15,35H,29H2,(H,38,39,40)(H,41,42,43)
InChIKey
FZEGHEHFADAUBC-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxy-3-[(4-nitrophenyl)diazenyl]-6-[(2-phenoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.06824 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.07552 240.9
[M+Na]+ 687.05746 252.7
[M-H]- 663.06096 245.0
[M+NH4]+ 682.10206 248.4
[M+K]+ 703.03140 243.4
[M+H-H2O]+ 647.06550 228.6
[M+HCOO]- 709.06644 249.8
[M+CH3COO]- 723.08209 270.8
[M+Na-2H]- 685.04291 275.5
[M]+ 664.06769 291.4
[M]- 664.06879 291.4
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.