CID 13805404

N-phenyl-1h-imidazol-2-amine

Structural Information

Molecular Formula

C₉H₉N₃

SMILES

C1=CC=C(C=C1)NC2=NC=CN2

InChI

InChI=1S/C9H9N3/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-7H,(H2,10,11,12)

InChIKey

YCAXQAUEKMQYQH-UHFFFAOYSA-N

Compound name

N-phenyl-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 186
Patents: 159.07965 Da
Monoisotopic Mass: 1.9
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]+	160.086926	130.5
[M+Na]+	182.068868	138.0
[M-H]-	158.072374	133.3
[M+NH4]+	177.113473	149.0
[M+K]+	198.042808	134.2
[M+H-H2O]+	142.076910	122.4
[M+HCOO]-	204.077851	154.3
[M+CH3COO]-	218.093501	143.5
[M+Na-2H]-	180.054316	138.9
[M]+	159.07910142	127.1
[M]-	159.08019858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe