CID 57417074

2033-46-7

Structural Information

Molecular Formula

C₆H₇IN₂OS

SMILES

CC1=C(SC(=N1)NC(=O)C)I

InChI

InChI=1S/C6H7IN2OS/c1-3-5(7)11-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)

InChIKey

BFARCRHWIUKSFT-UHFFFAOYSA-N

Compound name

N-(5-iodo-4-methyl-1,3-thiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 281.93237 Da
Monoisotopic Mass: 1.5
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]+	282.93965	144.1
[M+Na]+	304.92159	146.7
[M-H]-	280.92509	140.6
[M+NH4]+	299.96619	160.6
[M+K]+	320.89553	150.4
[M+H-H2O]+	264.92963	134.7
[M+HCOO]-	326.93057	158.9
[M+CH3COO]-	340.94622	188.6
[M+Na-2H]-	302.90704	133.6
[M]+	281.93182	143.8
[M]-	281.93292	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe