CID 136192393

93385-10-5

Structural Information

Molecular Formula
C40H23Cl5N6O4
SMILES
C1=CC(=CC2=C(C=C(C=C21)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=C5C=C(C=CC5=C4)O)N=NC6=C(C=CC(=C6)Cl)Cl)Cl)N=NC7=C(C=CC(=C7)Cl)Cl)O
InChI
InChI=1S/C40H23Cl5N6O4/c41-24-3-8-31(43)37(15-24)50-48-35-13-22(11-20-1-6-27(52)18-29(20)35)39(54)46-26-5-10-34(33(45)17-26)47-40(55)23-12-21-2-7-28(53)19-30(21)36(14-23)49-51-38-16-25(42)4-9-32(38)44/h1-19,52-53H,(H,46,54)(H,47,55)
InChIKey
JLOXQKYZYRDRQS-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[[4-[(2,5-dichlorophenyl)diazenyl]-6-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(2,5-dichlorophenyl)diazenyl]-6-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

826.02234 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 827.02962 287.4
[M+Na]+ 849.01156 305.0
[M+NH4]+ 844.05616 292.6
[M+K]+ 864.98550 290.8
[M-H]- 825.01506 298.6
[M+Na-2H]- 846.99701 295.4
[M]+ 826.02179 294.6
[M]- 826.02289 294.6
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.