CID 172190

Ys2pes3y8w

Structural Information

Molecular Formula
C44H26Cl4N6O4
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C(=CC=C3)Cl)Cl)O)C(=O)NC4=CC=CC5=C4C=CC=C5NC(=O)C6=CC7=CC=CC=C7C(=C6O)N=NC8=C(C(=CC=C8)Cl)Cl
InChI
InChI=1S/C44H26Cl4N6O4/c45-31-15-7-19-35(37(31)47)51-53-39-25-11-3-1-9-23(25)21-29(41(39)55)43(57)49-33-17-5-14-28-27(33)13-6-18-34(28)50-44(58)30-22-24-10-2-4-12-26(24)40(42(30)56)54-52-36-20-8-16-32(46)38(36)48/h1-22,55-56H,(H,49,57)(H,50,58)
InChIKey
JFWLZGFQYNTGAI-UHFFFAOYSA-N
Compound name
4-[(2,3-dichlorophenyl)diazenyl]-N-[5-[[4-[(2,3-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]naphthalen-1-yl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

842.07697 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.08425 274.1
[M+Na]+ 865.06619 280.5
[M-H]- 841.06969 287.5
[M+NH4]+ 860.11079 271.2
[M+K]+ 881.04013 278.4
[M+H-H2O]+ 825.07423 260.2
[M+HCOO]- 887.07517 279.0
[M+CH3COO]- 901.09082 276.2
[M+Na-2H]- 863.05164 276.4
[M]+ 842.07642 285.2
[M]- 842.07752 285.2
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

No patent data available for this compound.