CID 9637597

765271-45-2

Structural Information

Molecular Formula

C₂₁H₁₅Cl₃N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=CC=C2Cl)Cl)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15Cl3N2O2/c22-15-10-8-14(9-11-15)13-28-20-7-2-1-4-16(20)21(27)26-25-12-17-18(23)5-3-6-19(17)24/h1-12H,13H2,(H,26,27)/b25-12+

InChIKey

SSHKYUFSGJQNMX-BRJLIKDPSA-N

Compound name

2-[(4-chlorophenyl)methoxy]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 432.0199 Da
Monoisotopic Mass: 6.2
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]+	433.027176	198.9
[M+Na]+	455.009118	207.5
[M-H]-	431.012624	207.6
[M+NH4]+	450.053723	210.1
[M+K]+	470.983058	199.7
[M+H-H2O]+	415.017160	190.8
[M+HCOO]-	477.018101	210.2
[M+CH3COO]-	491.033751	229.5
[M+Na-2H]-	452.994566	200.3
[M]+	432.01935142	205.0
[M]-	432.02044858	205.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.