CID 3016908

54707-83-4

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CC1=CC(=C(C(=C1)C)CC2=NCCN2)C

InChI

InChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)

InChIKey

DUHARNKZLBMPBS-UHFFFAOYSA-N

Compound name

2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 202.147 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]+	203.154276	147.3
[M+Na]+	225.136218	155.8
[M-H]-	201.139724	150.3
[M+NH4]+	220.180823	165.5
[M+K]+	241.110158	151.4
[M+H-H2O]+	185.144260	139.7
[M+HCOO]-	247.145201	167.3
[M+CH3COO]-	261.160851	185.4
[M+Na-2H]-	223.121666	149.7
[M]+	202.14645142	145.8
[M]-	202.14754858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe