CID 135570873

67603-79-6

Structural Information

Molecular Formula
C43H31Cl3N6O4
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)Cl)O
InChI
InChI=1S/C43H31Cl3N6O4/c1-22-12-14-27(44)19-35(22)49-51-38-29-10-6-4-8-25(29)17-31(40(38)53)42(55)47-34-21-33(46)37(16-24(34)3)48-43(56)32-18-26-9-5-7-11-30(26)39(41(32)54)52-50-36-20-28(45)15-13-23(36)2/h4-21,53-54H,1-3H3,(H,47,55)(H,48,56)
InChIKey
IOZWMDATMOUALC-UHFFFAOYSA-N
Compound name
N-[5-chloro-4-[[4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2-methylphenyl]-4-[(5-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

800.1472 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.15448 287.1
[M+Na]+ 823.13642 294.1
[M-H]- 799.13992 302.8
[M+NH4]+ 818.18102 284.9
[M+K]+ 839.11036 290.6
[M+H-H2O]+ 783.14446 272.7
[M+HCOO]- 845.14540 297.5
[M+CH3COO]- 859.16105 290.0
[M+Na-2H]- 821.12187 286.3
[M]+ 800.14665 298.8
[M]- 800.14775 298.8
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.