CID 135641763

Chembl2311879

Structural Information

Molecular Formula
C15H11BrCl2N2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C15H11BrCl2N2O3/c16-10-1-3-13(21)9(5-10)7-19-20-15(22)8-23-14-4-2-11(17)6-12(14)18/h1-7,21H,8H2,(H,20,22)/b19-7+
InChIKey
GQMXPWCMZUYMRP-FBCYGCLPSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.933 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.94028 182.1
[M+Na]+ 438.92222 186.8
[M+NH4]+ 433.96682 185.8
[M+K]+ 454.89616 184.8
[M-H]- 414.92572 184.5
[M+Na-2H]- 436.90767 186.0
[M]+ 415.93245 182.8
[M]- 415.93355 182.8
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.