CID 3007431

Chembl26843

Structural Information

Molecular Formula

C₁₄H₁₄N₄

SMILES

CC(C1=CC=CC=C1)(N2C=CN=C2)N3C=CN=C3

InChI

InChI=1S/C14H14N4/c1-14(17-9-7-15-11-17,18-10-8-16-12-18)13-5-3-2-4-6-13/h2-12H,1H3

InChIKey

OYPRTTXKMJPUTB-UHFFFAOYSA-N

Compound name

1-(1-imidazol-1-yl-1-phenylethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.12184 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]+	239.12912	152.6
[M+Na]+	261.11106	161.8
[M-H]-	237.11456	157.9
[M+NH4]+	256.15566	167.8
[M+K]+	277.08500	157.6
[M+H-H2O]+	221.11910	142.4
[M+HCOO]-	283.12004	174.3
[M+CH3COO]-	297.13569	165.0
[M+Na-2H]-	259.09651	158.9
[M]+	238.12129	153.7
[M]-	238.12239	153.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.