CID 7275189

2-((1-naphthylamino)methylene)malononitrile

Structural Information

Molecular Formula

C₁₄H₉N₃

SMILES

C1=CC=C2C(=C1)C=CC=C2NC=C(C#N)C#N

InChI

InChI=1S/C14H9N3/c15-8-11(9-16)10-17-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,10,17H

InChIKey

POZVXDRKRDCCHY-UHFFFAOYSA-N

Compound name

2-[(naphthalen-1-ylamino)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.07965 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]+	220.086926	167.9
[M+Na]+	242.068868	177.8
[M-H]-	218.072374	171.0
[M+NH4]+	237.113473	180.1
[M+K]+	258.042808	170.5
[M+H-H2O]+	202.076910	152.4
[M+HCOO]-	264.077851	179.8
[M+CH3COO]-	278.093501	174.5
[M+Na-2H]-	240.054316	170.3
[M]+	219.07910142	158.4
[M]-	219.08019858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe