CID 3055611

72649-87-7

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CC1=CC(=C(C(=C1C)CC2=NCCN2)C)C

InChI

InChI=1S/C14H20N2/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14/h7H,5-6,8H2,1-4H3,(H,15,16)

InChIKey

RRCGXPYFQWDTRF-UHFFFAOYSA-N

Compound name

2-[(2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.16264 Da
Monoisotopic Mass: 2.3
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]+	217.169916	151.6
[M+Na]+	239.151858	160.7
[M-H]-	215.155364	154.9
[M+NH4]+	234.196463	169.6
[M+K]+	255.125798	156.0
[M+H-H2O]+	199.159900	144.2
[M+HCOO]-	261.160841	171.3
[M+CH3COO]-	275.176491	189.6
[M+Na-2H]-	237.137306	152.8
[M]+	216.16209142	150.9
[M]-	216.16318858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe