CID 211764

23564-80-9

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂O₃

SMILES

COC1=CC(=CC(=C1OC)OC)N=C(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C16H17ClN2O3/c1-20-13-8-10(9-14(21-2)15(13)22-3)19-16(18)11-6-4-5-7-12(11)17/h4-9H,1-3H3,(H2,18,19)

InChIKey

IGMASGXNMYWBOR-UHFFFAOYSA-N

Compound name

2-chloro-N'-(3,4,5-trimethoxyphenyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 320.09277 Da
Monoisotopic Mass: 3.2
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]+	321.100046	173.1
[M+Na]+	343.081988	181.8
[M-H]-	319.085494	181.2
[M+NH4]+	338.126593	188.5
[M+K]+	359.055928	178.0
[M+H-H2O]+	303.090030	165.5
[M+HCOO]-	365.090971	195.0
[M+CH3COO]-	379.106621	213.8
[M+Na-2H]-	341.067436	175.6
[M]+	320.09222142	179.1
[M]-	320.09331858	179.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe