CID 72138

Tolonidine

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃

SMILES

CC1=CC(=C(C=C1)NC2=NCCN2)Cl

InChI

InChI=1S/C10H12ClN3/c1-7-2-3-9(8(11)6-7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)

InChIKey

KWBTZIFLQYYPTH-UHFFFAOYSA-N

Compound name

N-(2-chloro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 1171
Patents: 209.07198 Da
Monoisotopic Mass: 1.8
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]+	210.07926	145.2
[M+Na]+	232.06120	153.8
[M-H]-	208.06470	147.9
[M+NH4]+	227.10580	163.2
[M+K]+	248.03514	148.2
[M+H-H2O]+	192.06924	137.7
[M+HCOO]-	254.07018	162.4
[M+CH3COO]-	268.08583	157.3
[M+Na-2H]-	230.04665	149.7
[M]+	209.07143	143.2
[M]-	209.07253	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe