CID 11548084

3,3'-diiodothyronamine

Structural Information

Molecular Formula

C₁₄H₁₃I₂NO₂

SMILES

C1=CC(=C(C=C1CCN)I)OC2=CC(=C(C=C2)O)I

InChI

InChI=1S/C14H13I2NO2/c15-11-8-10(2-3-13(11)18)19-14-4-1-9(5-6-17)7-12(14)16/h1-4,7-8,18H,5-6,17H2

InChIKey

RKRRCKUQQDVLGU-UHFFFAOYSA-N

Compound name

4-[4-(2-aminoethyl)-2-iodophenoxy]-2-iodophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 16
Patents: 480.90356 Da
Monoisotopic Mass: 3.7
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]+	481.91084	185.4
[M+Na]+	503.89278	178.5
[M-H]-	479.89628	177.8
[M+NH4]+	498.93738	190.5
[M+K]+	519.86672	186.2
[M+H-H2O]+	463.90082	171.7
[M+HCOO]-	525.90176	196.0
[M+CH3COO]-	539.91741	217.4
[M+Na-2H]-	501.87823	169.7
[M]+	480.90301	180.0
[M]-	480.90411	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe