CID 13142388

88116-58-9

Structural Information

Molecular Formula
C18H24I3N3O8
SMILES
CC(=O)N(CCO)C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I
InChI
InChI=1S/C18H24I3N3O8/c1-8(30)24(2-3-25)16-14(20)11(17(31)22-9(4-26)5-27)13(19)12(15(16)21)18(32)23-10(6-28)7-29/h9-10,25-29H,2-7H2,1H3,(H,22,31)(H,23,32)
InChIKey
DEHWKTMXSOUIDZ-UHFFFAOYSA-N
Compound name
5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

790.8698 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.87708 245.0
[M+Na]+ 813.85902 229.1
[M+NH4]+ 808.90362 260.6
[M+K]+ 829.83296 234.7
[M-H]- 789.86252 228.5
[M+Na-2H]- 811.84447 218.6
[M]+ 790.86925 235.2
[M]- 790.87035 235.2
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.