CID 33652

N-(2,5-dimethoxyphenyl)-2-iodoacetamide

Structural Information

Molecular Formula

C₁₀H₁₂INO₃

SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CI

InChI

InChI=1S/C10H12INO3/c1-14-7-3-4-9(15-2)8(5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

YZLASIUOKWQXAF-UHFFFAOYSA-N

Compound name

N-(2,5-dimethoxyphenyl)-2-iodoacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 320.98618 Da
Monoisotopic Mass: 2.0
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]+	321.99346	159.3
[M+Na]+	343.97540	162.7
[M+NH4]+	339.02000	162.0
[M+K]+	359.94934	160.4
[M-H]-	319.97890	154.4
[M+Na-2H]-	341.96085	151.6
[M]+	320.98563	157.1
[M]-	320.98673	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe