CID 13142386

Isophthalamide, n,n'-bis(2-(2-hydroxyethoxy)ethyl)-5-(n-(2-hydroxyethyl)acetamido)-2,4,6-triiodo-

Structural Information

Molecular Formula
C20H28I3N3O8
SMILES
CC(=O)N(CCO)C1=C(C(=C(C(=C1I)C(=O)NCCOCCO)I)C(=O)NCCOCCO)I
InChI
InChI=1S/C20H28I3N3O8/c1-12(30)26(4-5-27)18-16(22)13(19(31)24-2-8-33-10-6-28)15(21)14(17(18)23)20(32)25-3-9-34-11-7-29/h27-29H,2-11H2,1H3,(H,24,31)(H,25,32)
InChIKey
HFLHLXIWMCXYEJ-UHFFFAOYSA-N
Compound name
5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis[2-(2-hydroxyethoxy)ethyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

818.9011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.90838 246.0
[M+Na]+ 841.89032 230.7
[M+NH4]+ 836.93492 265.3
[M+K]+ 857.86426 265.8
[M-H]- 817.89382 230.1
[M+Na-2H]- 839.87577 220.4
[M]+ 818.90055 236.5
[M]- 818.90165 236.5
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.