CID 3010990

Chembl1800332

Structural Information

Molecular Formula

C₁₉H₁₄N₂

SMILES

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C19H14N2/c20-19(21)18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-5,8-13H,(H3,20,21)

InChIKey

NZSDDTDSDDTUSH-UHFFFAOYSA-N

Compound name

6-(2-phenylethynyl)naphthalene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 270.1157 Da
Monoisotopic Mass: 4.2
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]+	271.12298	174.3
[M+Na]+	293.10492	183.9
[M-H]-	269.10842	178.2
[M+NH4]+	288.14952	188.3
[M+K]+	309.07886	173.7
[M+H-H2O]+	253.11296	160.4
[M+HCOO]-	315.11390	191.1
[M+CH3COO]-	329.12955	183.1
[M+Na-2H]-	291.09037	177.5
[M]+	270.11515	164.6
[M]-	270.11625	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe