CID 208622

Nicotinamidine, n-phenyl-

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: 34
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]+	198.102566	142.0
[M+Na]+	220.084508	148.3
[M-H]-	196.088014	148.1
[M+NH4]+	215.129113	159.2
[M+K]+	236.058448	144.9
[M+H-H2O]+	180.092550	133.4
[M+HCOO]-	242.093491	167.9
[M+CH3COO]-	256.109141	189.7
[M+Na-2H]-	218.069956	150.4
[M]+	197.09474142	139.0
[M]-	197.09583858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe