CID 205914

18982-98-4

Structural Information

Molecular Formula
C11H10I3NO3
SMILES
CN(C1=C(C=C(C=C1I)I)I)C(=O)CCC(=O)O
InChI
InChI=1S/C11H10I3NO3/c1-15(9(16)2-3-10(17)18)11-7(13)4-6(12)5-8(11)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKey
DBINQVZCEVWFLC-UHFFFAOYSA-N
Compound name
4-oxo-4-(2,4,6-triiodo-N-methylanilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.7795 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.78678 185.1
[M+Na]+ 607.76872 173.8
[M+NH4]+ 602.81332 179.3
[M+K]+ 623.74266 178.7
[M-H]- 583.77222 171.2
[M+Na-2H]- 605.75417 165.1
[M]+ 584.77895 177.1
[M]- 584.78005 177.1
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

No patent data available for this compound.