CID 9574957

Schembl14198069

Structural Information

Molecular Formula

C₁₇H₁₄N₄

SMILES

C1=CC=C2C(=C1)C=CC=C2/C=N/N=C(/C3=CC=CC=N3)\N

InChI

InChI=1S/C17H14N4/c18-17(16-10-3-4-11-19-16)21-20-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H2,18,21)/b20-12+

InChIKey

CYPYDSJAFVDXBT-UDWIEESQSA-N

Compound name

N'-[(E)-naphthalen-1-ylmethylideneamino]pyridine-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 274.12186 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]+	275.12914	161.3
[M+Na]+	297.11108	167.7
[M-H]-	273.11458	169.3
[M+NH4]+	292.15568	176.7
[M+K]+	313.08502	162.7
[M+H-H2O]+	257.11912	151.2
[M+HCOO]-	319.12006	188.0
[M+CH3COO]-	333.13571	173.0
[M+Na-2H]-	295.09653	170.6
[M]+	274.12131	159.5
[M]-	274.12241	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe