CID 135570857

72845-88-6

Structural Information

Molecular Formula
C32H23N7O11S3
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)O)N)O
InChI
InChI=1S/C32H23N7O11S3/c33-28-27-18(16-26(53(48,49)50)31(32(27)41)39-34-19-4-2-1-3-5-19)15-25(52(45,46)47)30(28)38-36-21-9-7-20(8-10-21)35-37-29-23-12-11-22(51(42,43)44)14-17(23)6-13-24(29)40/h1-16,40-41H,33H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)
InChIKey
DJDQZQYZJSIIGG-UHFFFAOYSA-N
Compound name
4-amino-5-hydroxy-3-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

777.06177 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.06905 252.7
[M+Na]+ 800.05099 259.8
[M+NH4]+ 795.09559 257.7
[M+K]+ 816.02493 256.6
[M-H]- 776.05449 252.3
[M+Na-2H]- 798.03644 277.6
[M]+ 777.06122 256.1
[M]- 777.06232 256.1
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.