CID 15953977

Chembl258955

Structural Information

Molecular Formula
C21H16Cl3N3O
SMILES
C1=CC=C(C(=C1)CC(=O)N/N=C/C2=CC=CC=C2Cl)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H16Cl3N3O/c22-16-8-3-1-7-15(16)13-25-27-20(28)12-14-6-2-4-11-19(14)26-21-17(23)9-5-10-18(21)24/h1-11,13,26H,12H2,(H,27,28)/b25-13+
InChIKey
FVWPQBTYPLVTFY-DHRITJCHSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-2-[2-(2,6-dichloroanilino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

431.0359 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.04318 201.2
[M+Na]+ 454.02512 209.1
[M-H]- 430.02862 209.7
[M+NH4]+ 449.06972 212.1
[M+K]+ 469.99906 200.7
[M+H-H2O]+ 414.03316 193.0
[M+HCOO]- 476.03410 213.3
[M+CH3COO]- 490.04975 232.3
[M+Na-2H]- 452.01057 202.8
[M]+ 431.03535 205.5
[M]- 431.03645 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.