CID 179686

3-(4-iodophenyl)-1,1-dimethylurea

Structural Information

Molecular Formula

C₉H₁₁IN₂O

SMILES

CN(C)C(=O)NC1=CC=C(C=C1)I

InChI

InChI=1S/C9H11IN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

QXWBCYDYAGDZBL-UHFFFAOYSA-N

Compound name

3-(4-iodophenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 289.9916 Da
Monoisotopic Mass: 1.6
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]+	290.99888	153.3
[M+Na]+	312.98082	156.4
[M+NH4]+	308.02542	156.9
[M+K]+	328.95476	154.0
[M-H]-	288.98432	149.9
[M+Na-2H]-	310.96627	146.8
[M]+	289.99105	151.5
[M]-	289.99215	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe