CID 162796

St 93

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃

SMILES

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

InChI

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

InChIKey

PMDBCMLUDMRNFI-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 143
Patents: 209.07198 Da
Monoisotopic Mass: 1.7
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]+	210.079256	145.2
[M+Na]+	232.061198	153.8
[M-H]-	208.064704	147.9
[M+NH4]+	227.105803	163.2
[M+K]+	248.035138	148.2
[M+H-H2O]+	192.069240	137.7
[M+HCOO]-	254.070181	162.4
[M+CH3COO]-	268.085831	157.3
[M+Na-2H]-	230.046646	149.7
[M]+	209.07143142	143.2
[M]-	209.07252858	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe