CID 3654

Oxistilbamidinum

Structural Information

Molecular Formula

C₁₆H₁₆N₄O

SMILES

C1=CC(=CC=C1C=CC2=C(C=C(C=C2)C(=N)N)O)C(=N)N

InChI

InChI=1S/C16H16N4O/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21/h1-9,21H,(H3,17,18)(H3,19,20)

InChIKey

TUESWZZJYCLFNL-UHFFFAOYSA-N

Compound name

4-[2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 639
References: 4013
Patents: 280.13242 Da
Monoisotopic Mass: 1.8
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]+	281.13970	166.1
[M+Na]+	303.12164	171.1
[M-H]-	279.12514	170.8
[M+NH4]+	298.16624	179.4
[M+K]+	319.09558	165.4
[M+H-H2O]+	263.12968	158.0
[M+HCOO]-	325.13062	189.8
[M+CH3COO]-	339.14627	209.7
[M+Na-2H]-	301.10709	167.4
[M]+	280.13187	158.5
[M]-	280.13297	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe