CID 49652

Glycine, n-(3-methoxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-

Structural Information

Molecular Formula
C14H14I3N3O6
SMILES
CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(=O)O)I
InChI
InChI=1S/C14H14I3N3O6/c1-18-13(24)7-9(15)8(14(25)19-3-6(22)23)11(17)12(10(7)16)20-5(21)4-26-2/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)
InChIKey
ZUOGOXJIROUOFD-UHFFFAOYSA-N
Compound name
2-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

700.8017 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.80898 199.3
[M+Na]+ 723.79092 185.4
[M-H]- 699.79442 189.9
[M+NH4]+ 718.83552 197.3
[M+K]+ 739.76486 199.9
[M+H-H2O]+ 683.79896 186.1
[M+HCOO]- 745.79990 203.3
[M+CH3COO]- 759.81555 245.4
[M+Na-2H]- 721.77637 179.4
[M]+ 700.80115 194.7
[M]- 700.80225 194.7
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