CID 3308644

111082-23-6

Structural Information

Molecular Formula

C₁₃H₁₂N₂

SMILES

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

InChI

InChI=1S/C13H12N2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H3,14,15)

InChIKey

VHEYCTCATJSAAI-UHFFFAOYSA-N

Compound name

4-phenylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 196.10005 Da
Monoisotopic Mass: 2.9
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]+	197.10733	144.3
[M+Na]+	219.08927	157.7
[M+NH4]+	214.13387	153.6
[M+K]+	235.06321	150.1
[M-H]-	195.09277	150.4
[M+Na-2H]-	217.07472	154.5
[M]+	196.09950	147.9
[M]-	196.10060	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe