CID 61316658

1-ethyl-2-(4-iodobenzoyl)-1h-imidazole

Structural Information

Molecular Formula

C₁₂H₁₁IN₂O

SMILES

CCN1C=CN=C1C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C12H11IN2O/c1-2-15-8-7-14-12(15)11(16)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3

InChIKey

XTQNJPMCKSAAAQ-UHFFFAOYSA-N

Compound name

(1-ethylimidazol-2-yl)-(4-iodophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.9916 Da
Monoisotopic Mass: 2.6
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]+	326.998876	152.2
[M+Na]+	348.980818	154.0
[M-H]-	324.984324	149.4
[M+NH4]+	344.025423	164.9
[M+K]+	364.954758	156.5
[M+H-H2O]+	308.988860	140.6
[M+HCOO]-	370.989801	169.5
[M+CH3COO]-	385.005451	196.4
[M+Na-2H]-	346.966266	144.2
[M]+	325.99105142	150.7
[M]-	325.99214858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.