CID 2800973

Maybridge1_001933

Structural Information

Molecular Formula

C₁₅H₁₅Cl₂N₃O

SMILES

CN(C)C=NC1=C(C=CC=N1)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H15Cl2N3O/c1-20(2)10-19-15-14(4-3-7-18-15)21-9-11-5-6-12(16)13(17)8-11/h3-8,10H,9H2,1-2H3

InChIKey

SXVNPFVCAUPIKN-UHFFFAOYSA-N

Compound name

N'-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 323.0592 Da
Monoisotopic Mass: 3.6
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]+	324.066476	172.9
[M+Na]+	346.048418	182.0
[M-H]-	322.051924	180.1
[M+NH4]+	341.093023	188.0
[M+K]+	362.022358	176.7
[M+H-H2O]+	306.056460	164.6
[M+HCOO]-	368.057401	190.1
[M+CH3COO]-	382.073051	215.1
[M+Na-2H]-	344.033866	177.2
[M]+	323.05865142	179.7
[M]-	323.05974858	179.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.