CID 57985
Butyric acid, 2-(2-(3-(n-methylacetamido)-2,4,6-triiodophenoxy)ethoxy)-, sodium salt
Structural Information
- Molecular Formula
- C15H18I3NO5
- SMILES
- CCC(C(=O)O)OCCOC1=C(C=C(C(=C1I)N(C)C(=O)C)I)I
- InChI
- InChI=1S/C15H18I3NO5/c1-4-11(15(21)22)23-5-6-24-14-10(17)7-9(16)13(12(14)18)19(3)8(2)20/h7,11H,4-6H2,1-3H3,(H,21,22)
- InChIKey
- INVCPNQMSGGZBO-UHFFFAOYSA-N
- Compound name
- 2-[2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]ethoxy]butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 673.83918 | 190.6 |
[M+Na]+ | 695.82112 | 177.0 |
[M-H]- | 671.82462 | 181.1 |
[M+NH4]+ | 690.86572 | 189.9 |
[M+K]+ | 711.79506 | 191.8 |
[M+H-H2O]+ | 655.82916 | 177.7 |
[M+HCOO]- | 717.83010 | 193.9 |
[M+CH3COO]- | 731.84575 | 241.6 |
[M+Na-2H]- | 693.80657 | 170.8 |
[M]+ | 672.83135 | 188.1 |
[M]- | 672.83245 | 188.1 |
Literature stripe
No literature data available for this compound.