CID 269935

14897-93-9

Structural Information

Molecular Formula

C₁₆H₁₃Cl₂NO₃

SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C(=CC(=C2)Cl)Cl)O

InChI

InChI=1S/C16H13Cl2NO3/c1-2-22-16(21)10-3-5-13(6-4-10)19-9-11-7-12(17)8-14(18)15(11)20/h3-9,20H,2H2,1H3

InChIKey

OMIYGSQXMPMWIY-UHFFFAOYSA-N

Compound name

ethyl 4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 337.02725 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	338.034526	172.6
[M+Na]+	360.016468	182.6
[M-H]-	336.019974	179.3
[M+NH4]+	355.061073	187.9
[M+K]+	375.990408	176.4
[M+H-H2O]+	320.024510	166.6
[M+HCOO]-	382.025451	187.8
[M+CH3COO]-	396.041101	209.6
[M+Na-2H]-	358.001916	174.8
[M]+	337.02670142	179.0
[M]-	337.02779858	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe