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
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 |
Literature stripe
No literature data available for this compound.