CID 80860

6410-40-8

Structural Information

Molecular Formula
C25H19Cl2N3O4
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C25H19Cl2N3O4/c1-33-16-8-10-22(34-2)21(13-16)28-25(32)18-11-14-5-3-4-6-17(14)23(24(18)31)30-29-20-12-15(26)7-9-19(20)27/h3-13,31H,1-2H3,(H,28,32)
InChIKey
CVRPSWGFUCJAFC-UHFFFAOYSA-N
Compound name
4-[(2,5-dichlorophenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1551
Patents

495.07526 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.08254 217.1
[M+Na]+ 518.06448 234.0
[M+NH4]+ 513.10908 224.4
[M+K]+ 534.03842 223.6
[M-H]- 494.06798 225.6
[M+Na-2H]- 516.04993 226.5
[M]+ 495.07471 222.6
[M]- 495.07581 222.6
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

patents stripe