CID 59609

Acetic acid, 2-(2-(3-(n-ethylacetamido)-2,4,6-triiodophenoxy)ethoxy)-, sodium salt

Structural Information

Molecular Formula
C14H16I3NO5
SMILES
CCN(C1=C(C(=C(C=C1I)I)OCCOCC(=O)O)I)C(=O)C
InChI
InChI=1S/C14H16I3NO5/c1-3-18(8(2)19)13-9(15)6-10(16)14(12(13)17)23-5-4-22-7-11(20)21/h6H,3-5,7H2,1-2H3,(H,20,21)
InChIKey
OJTHOMATRODPLK-UHFFFAOYSA-N
Compound name
2-[2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.8163 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.82358 188.9
[M+Na]+ 681.80552 175.6
[M-H]- 657.80902 179.4
[M+NH4]+ 676.85012 188.6
[M+K]+ 697.77946 190.2
[M+H-H2O]+ 641.81356 175.9
[M+HCOO]- 703.81450 192.9
[M+CH3COO]- 717.83015 239.4
[M+Na-2H]- 679.79097 169.9
[M]+ 658.81575 186.5
[M]- 658.81685 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.