CID 122589

Einecs 250-993-1

Structural Information

Molecular Formula
C24H17Cl2N3O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C24H17Cl2N3O2/c1-14-6-2-5-9-20(14)27-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)29-28-21-13-16(25)10-11-19(21)26/h2-13,30H,1H3,(H,27,31)
InChIKey
VMZHEMAZGRUVNX-UHFFFAOYSA-N
Compound name
4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

449.0698 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.07708 207.0
[M+Na]+ 472.05902 216.4
[M-H]- 448.06252 218.3
[M+NH4]+ 467.10362 218.2
[M+K]+ 488.03296 208.9
[M+H-H2O]+ 432.06706 197.6
[M+HCOO]- 494.06800 223.4
[M+CH3COO]- 508.08365 216.6
[M+Na-2H]- 470.04447 210.2
[M]+ 449.06925 212.8
[M]- 449.07035 212.8
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

patents stripe