CID 483082

4-hydroxy-7-[({5-hydroxy-7-sulfo-6-[(4-vinylphenyl)diazenyl](2-naphthyl)}amino)carbonylamino]-3-[(4-vinylphenyl)diazenyl]naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C37H28N6O9S2
SMILES
C=CC1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C=C)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C37H28N6O9S2/c1-3-21-5-9-25(10-6-21)40-42-33-31(53(47,48)49)19-23-17-27(13-15-29(23)35(33)44)38-37(46)39-28-14-16-30-24(18-28)20-32(54(50,51)52)34(36(30)45)43-41-26-11-7-22(4-2)8-12-26/h3-20,44-45H,1-2H2,(H2,38,39,46)(H,47,48,49)(H,50,51,52)
InChIKey
QOZSVIWVUFICPH-UHFFFAOYSA-N
Compound name
3-[(4-ethenylphenyl)diazenyl]-7-[[6-[(4-ethenylphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

764.1359 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.14318 269.6
[M+Na]+ 787.12512 282.3
[M-H]- 763.12862 273.3
[M+NH4]+ 782.16972 276.3
[M+K]+ 803.09906 270.8
[M+H-H2O]+ 747.13316 253.3
[M+HCOO]- 809.13410 277.1
[M+CH3COO]- 823.14975 279.9
[M+Na-2H]- 785.11057 296.7
[M]+ 764.13535 313.6
[M]- 764.13645 313.6
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

patents stripe