CID 17058

2429-73-4

Structural Information

Molecular Formula
C32H24N6O11S3
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C32H24N6O11S3/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)
InChIKey
JDKKCKKFTIMFFD-UHFFFAOYSA-N
Compound name
5-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

55
Patents

764.0665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.07378 268.8
[M+Na]+ 787.05572 283.0
[M-H]- 763.05922 272.6
[M+NH4]+ 782.10032 276.1
[M+K]+ 803.02966 271.7
[M+H-H2O]+ 747.06376 254.7
[M+HCOO]- 809.06470 276.8
[M+CH3COO]- 823.08035 279.5
[M+Na-2H]- 785.04117 294.1
[M]+ 764.06595 312.4
[M]- 764.06705 312.4
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

patents stripe