CID 208622

N-phenylnicotinamidine

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

C1=CC=C(C=C1)N=C(C2=CN=CC=C2)N

InChI

InChI=1S/C12H11N3/c13-12(10-5-4-8-14-9-10)15-11-6-2-1-3-7-11/h1-9H,(H2,13,15)

InChIKey

MNHNNNQQPRPXDW-UHFFFAOYSA-N

Compound name

N'-phenylpyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 197.09529 Da
Monoisotopic Mass: 1.6
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]+	198.10257	142.0
[M+Na]+	220.08451	148.3
[M-H]-	196.08801	148.1
[M+NH4]+	215.12911	159.2
[M+K]+	236.05845	144.9
[M+H-H2O]+	180.09255	133.4
[M+HCOO]-	242.09349	167.9
[M+CH3COO]-	256.10914	189.7
[M+Na-2H]-	218.06996	150.4
[M]+	197.09474	139.0
[M]-	197.09584	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe