CID 174176

Einecs 279-211-7

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 289.8
[M+Na]+ 803.19106 296.1
[M-H]- 779.19456 306.9
[M+NH4]+ 798.23566 287.5
[M+K]+ 819.16500 292.2
[M+H-H2O]+ 763.19910 274.1
[M+HCOO]- 825.20004 304.5
[M+CH3COO]- 839.21569 293.0
[M+Na-2H]- 801.17651 289.2
[M]+ 780.20129 300.2
[M]- 780.20239 300.2
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.