CID 80860

2-naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-n-(2,5-dimethoxyphenyl)-3-hydroxy-

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
3
Annotation Hits

0
References

1558
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 216.4
[M+Na]+ 518.06448 225.6
[M-H]- 494.06798 227.9
[M+NH4]+ 513.10908 225.8
[M+K]+ 534.03842 219.9
[M+H-H2O]+ 478.07252 206.6
[M+HCOO]- 540.07346 232.7
[M+CH3COO]- 554.08911 247.9
[M+Na-2H]- 516.04993 218.8
[M]+ 495.07471 225.7
[M]- 495.07581 225.7
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