CID 11497244

3',5'-diiodothyronamine

Structural Information

Molecular Formula
C14H13I2NO2
SMILES
C1=CC(=CC=C1CCN)OC2=CC(=C(C(=C2)I)O)I
InChI
InChI=1S/C14H13I2NO2/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17/h1-4,7-8,18H,5-6,17H2
InChIKey
JNKNXEJLUBMMOQ-UHFFFAOYSA-N
Compound name
4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol
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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe