CID 147654

4,4'-(1,2-ethanediylbis(oxy))bis-benzenecarboximidamide

Structural Information

Molecular Formula

C₁₆H₁₈N₄O₂

SMILES

C1=CC(=CC=C1C(=N)N)OCCOC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H18N4O2/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20)

InChIKey

PWLGDGGFMJVYHP-UHFFFAOYSA-N

Compound name

4-[2-(4-carbamimidoylphenoxy)ethoxy]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 298.14297 Da
Monoisotopic Mass: 1.5
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]+	299.150246	168.4
[M+Na]+	321.132188	172.3
[M-H]-	297.135694	173.9
[M+NH4]+	316.176793	181.2
[M+K]+	337.106128	168.6
[M+H-H2O]+	281.140230	159.3
[M+HCOO]-	343.141171	193.6
[M+CH3COO]-	357.156821	214.2
[M+Na-2H]-	319.117636	171.1
[M]+	298.14242142	164.3
[M]-	298.14351858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.