CID 78699

5001-72-9

Structural Information

Molecular Formula
C32H23N5O8S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C32H23N5O8S2/c38-31-25-13-11-23(15-19(25)17-27(46(40,41)42)29(31)36-34-21-7-3-1-4-8-21)33-24-12-14-26-20(16-24)18-28(47(43,44)45)30(32(26)39)37-35-22-9-5-2-6-10-22/h1-18,33,38-39H,(H,40,41,42)(H,43,44,45)
InChIKey
DLYJOQYCGSEKTA-UHFFFAOYSA-N
Compound name
4-hydroxy-7-[(5-hydroxy-6-phenyldiazenyl-7-sulfonaphthalen-2-yl)amino]-3-phenyldiazenylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

799
Patents

669.0988 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.10608 243.3
[M+Na]+ 692.08802 255.8
[M+NH4]+ 687.13262 246.6
[M+K]+ 708.06196 246.4
[M-H]- 668.09152 251.8
[M+Na-2H]- 690.07347 255.1
[M]+ 669.09825 248.2
[M]- 669.09935 248.2
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