CID 200127

N-phenylbenzamidine

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

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

InChI

InChI=1S/C13H12N2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15)

InChIKey

MPYOKHFSBKUKPQ-UHFFFAOYSA-N

Compound name

N'-phenylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 545
Patents: 196.10005 Da
Monoisotopic Mass: 2.6
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]+	197.107326	142.3
[M+Na]+	219.089268	148.2
[M-H]-	195.092774	149.7
[M+NH4]+	214.133873	160.9
[M+K]+	235.063208	144.8
[M+H-H2O]+	179.097310	134.6
[M+HCOO]-	241.098251	169.2
[M+CH3COO]-	255.113901	190.1
[M+Na-2H]-	217.074716	150.0
[M]+	196.09950142	139.1
[M]-	196.10059858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe