CID 3008893

Chembl89870

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O

SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C(=N)N

InChI

InChI=1S/C14H13ClN2O/c15-12-6-4-10(5-7-12)9-18-13-3-1-2-11(8-13)14(16)17/h1-8H,9H2,(H3,16,17)

InChIKey

PRXYDZUZMSVJAQ-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methoxy]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.07166 Da
Monoisotopic Mass: 3.0
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]+	261.078936	157.8
[M+Na]+	283.060878	165.4
[M-H]-	259.064384	164.0
[M+NH4]+	278.105483	174.5
[M+K]+	299.034818	159.6
[M+H-H2O]+	243.068920	151.0
[M+HCOO]-	305.069861	178.5
[M+CH3COO]-	319.085511	199.3
[M+Na-2H]-	281.046326	162.3
[M]+	260.07111142	157.7
[M]-	260.07220858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.