CID 22814

1-cyano-n,n'-diphenylformamidine

Structural Information

Molecular Formula

C₁₄H₁₁N₃

SMILES

C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H11N3/c15-11-14(16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,(H,16,17)

InChIKey

CPFBIBCZHAOUDH-UHFFFAOYSA-N

Compound name

1-cyano-N,N'-diphenylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 221.09529 Da
Monoisotopic Mass: 3.1
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	156.5
[M+Na]+	244.084508	164.5
[M-H]-	220.088014	162.4
[M+NH4]+	239.129113	172.1
[M+K]+	260.058448	159.1
[M+H-H2O]+	204.092550	141.8
[M+HCOO]-	266.093491	179.1
[M+CH3COO]-	280.109141	205.2
[M+Na-2H]-	242.069956	163.0
[M]+	221.09474142	149.2
[M]-	221.09583858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe