CID 206940

Brn 2423331

Structural Information

Molecular Formula
C19H24I3N3O5
SMILES
CCN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I
InChI
InChI=1S/C19H24I3N3O5/c1-6-23(9-12(28)29)19(30)13-14(20)17(24(7-2)10(4)26)16(22)18(15(13)21)25(8-3)11(5)27/h6-9H2,1-5H3,(H,28,29)
InChIKey
NFVKJHJDCRXYDM-UHFFFAOYSA-N
Compound name
2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

754.885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.89228 231.6
[M+Na]+ 777.87422 217.9
[M+NH4]+ 772.91882 223.5
[M+K]+ 793.84816 222.6
[M-H]- 753.87772 217.1
[M+Na-2H]- 775.85967 208.0
[M]+ 754.88445 222.9
[M]- 754.88555 222.9
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.