CID 65705

Iolixanic acid

Structural Information

Molecular Formula
C15H18I3NO5
SMILES
CCN(C1=C(C(=C(C=C1I)I)OCCOC(C)C(=O)O)I)C(=O)C
InChI
InChI=1S/C15H18I3NO5/c1-4-19(9(3)20)13-10(16)7-11(17)14(12(13)18)24-6-5-23-8(2)15(21)22/h7-8H,4-6H2,1-3H3,(H,21,22)
InChIKey
HCPRJARHRUCLBG-UHFFFAOYSA-N
Compound name
2-[2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

672.8319 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.83918 205.9
[M+Na]+ 695.82112 193.6
[M+NH4]+ 690.86572 199.0
[M+K]+ 711.79506 198.5
[M-H]- 671.82462 191.3
[M+Na-2H]- 693.80657 184.1
[M]+ 672.83135 197.5
[M]- 672.83245 197.5
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

patents stripe