CID 174176

79665-24-0

Structural Information

Molecular Formula
C44H34Cl2N6O4
SMILES
CC1=C(C=C(C=C1)Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4C)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=CC(=C7)Cl)C)C)O
InChI
InChI=1S/C44H34Cl2N6O4/c1-23-13-15-29(45)21-37(23)49-51-39-31-11-7-5-9-27(31)19-33(41(39)53)43(55)47-35-17-26(4)36(18-25(35)3)48-44(56)34-20-28-10-6-8-12-32(28)40(42(34)54)52-50-38-22-30(46)16-14-24(38)2/h5-22,53-54H,1-4H3,(H,47,55)(H,48,56)
InChIKey
RUASBGDJNNJFOJ-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-methylphenyl)diazenyl]-N-[4-[[4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

780.20184 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.20912 296.4
[M+Na]+ 803.19106 315.2
[M+NH4]+ 798.23566 301.7
[M+K]+ 819.16500 301.2
[M-H]- 779.19456 311.2
[M+Na-2H]- 801.17651 306.6
[M]+ 780.20129 304.1
[M]- 780.20239 304.1
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.