CID 78711

Einecs 225-691-8

Structural Information

Molecular Formula
C25H18Cl3N3O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl
InChI
InChI=1S/C25H18Cl3N3O3/c1-2-34-16-9-7-15(8-10-16)29-25(33)18-11-14-5-3-4-6-17(14)23(24(18)32)31-30-22-13-20(27)19(26)12-21(22)28/h3-13,32H,2H2,1H3,(H,29,33)
InChIKey
NADZJYYXBITLCC-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-3-hydroxy-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

513.0414 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.04868 219.1
[M+Na]+ 536.03062 228.6
[M-H]- 512.03412 229.0
[M+NH4]+ 531.07522 228.1
[M+K]+ 552.00456 221.7
[M+H-H2O]+ 496.03866 210.3
[M+HCOO]- 558.03960 229.9
[M+CH3COO]- 572.05525 227.3
[M+Na-2H]- 534.01607 220.2
[M]+ 513.04085 227.7
[M]- 513.04195 227.7
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