CID 49353

Brn 2188980

Structural Information

Molecular Formula
C15H17I3N2O6
SMILES
CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OCC(CO)O)I
InChI
InChI=1S/C15H17I3N2O6/c1-6(22)19-3-9-11(16)10(15(25)26-5-8(24)4-21)13(18)14(12(9)17)20-7(2)23/h8,21,24H,3-5H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
NJAUFVDIJIFKIM-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

701.8221 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.82938 219.2
[M+Na]+ 724.81132 205.7
[M+NH4]+ 719.85592 211.1
[M+K]+ 740.78526 210.8
[M-H]- 700.81482 203.9
[M+Na-2H]- 722.79677 195.6
[M]+ 701.82155 210.3
[M]- 701.82265 210.3
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