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

38
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 190.6
[M+Na]+ 695.82112 177.0
[M-H]- 671.82462 181.1
[M+NH4]+ 690.86572 189.9
[M+K]+ 711.79506 191.8
[M+H-H2O]+ 655.82916 177.7
[M+HCOO]- 717.83010 193.9
[M+CH3COO]- 731.84575 241.6
[M+Na-2H]- 693.80657 170.8
[M]+ 672.83135 188.1
[M]- 672.83245 188.1
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