CID 80423

6262-07-3

Structural Information

Molecular Formula
C32H23N5O7S2
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C32H23N5O7S2/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21/h1-19,33,38H,(H,39,40,41)(H,42,43,44)
InChIKey
AAOMRJLIQLGUDX-UHFFFAOYSA-N
Compound name
5-[[4-[(4-anilino-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

684
Patents

653.1039 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.11118 240.5
[M+Na]+ 676.09312 253.8
[M+NH4]+ 671.13772 244.7
[M+K]+ 692.06706 243.3
[M-H]- 652.09662 249.8
[M+Na-2H]- 674.07857 253.4
[M]+ 653.10335 245.9
[M]- 653.10445 245.9
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.