CID 9575342

(1-aza-2-naphthylvinyl)imidazole

Structural Information

Molecular Formula

C₁₄H₁₁N₃

SMILES

C1=CC=C2C(=C1)C=CC=C2/C=N/N3C=CN=C3

InChI

InChI=1S/C14H11N3/c1-2-7-14-12(4-1)5-3-6-13(14)10-16-17-9-8-15-11-17/h1-11H/b16-10+

InChIKey

GTROFYXXONOOCK-MHWRWJLKSA-N

Compound name

(E)-N-imidazol-1-yl-1-naphthalen-1-ylmethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 221.09529 Da
Monoisotopic Mass: 3.0
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]+	222.102566	146.6
[M+Na]+	244.084508	156.6
[M-H]-	220.088014	153.3
[M+NH4]+	239.129113	165.3
[M+K]+	260.058448	151.6
[M+H-H2O]+	204.092550	137.4
[M+HCOO]-	266.093491	173.1
[M+CH3COO]-	280.109141	160.4
[M+Na-2H]-	242.069956	156.2
[M]+	221.09474142	148.4
[M]-	221.09583858	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.