CID 207372
Brn 2228801
Structural Information
- Molecular Formula
- C13H10I4N2O6
- SMILES
- CN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)NCC(=O)O)I)I
- InChI
- InChI=1S/C13H10I4N2O6/c1-19(3-5(22)23)13(25)7-10(16)8(14)6(9(15)11(7)17)12(24)18-2-4(20)21/h2-3H2,1H3,(H,18,24)(H,20,21)(H,22,23)
- InChIKey
- XSDOVFIAAPWZHU-UHFFFAOYSA-N
- Compound name
- 2-[[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 798.67908 | 188.6 |
[M+Na]+ | 820.66102 | 173.7 |
[M-H]- | 796.66452 | 181.5 |
[M+NH4]+ | 815.70562 | 185.4 |
[M+K]+ | 836.63496 | 188.9 |
[M+H-H2O]+ | 780.66906 | 177.7 |
[M+HCOO]- | 842.67000 | 188.1 |
[M+CH3COO]- | 856.68565 | 248.6 |
[M+Na-2H]- | 818.64647 | 169.0 |
[M]+ | 797.67125 | 183.7 |
[M]- | 797.67235 | 183.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.