CID 64844
22708-47-0
Structural Information
- Molecular Formula
- C16H13I3N2O3
- SMILES
- C1=CC(=CC(=C1)NC(=O)C2=C(C(=C(C=C2I)I)N)I)CCC(=O)O
- InChI
- InChI=1S/C16H13I3N2O3/c17-10-7-11(18)15(20)14(19)13(10)16(24)21-9-3-1-2-8(6-9)4-5-12(22)23/h1-3,6-7H,4-5,20H2,(H,21,24)(H,22,23)
- InChIKey
- LYYDOVGTHINNFB-UHFFFAOYSA-N
- Compound name
- 3-[3-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 662.81328 | 207.7 |
[M+Na]+ | 684.79522 | 194.3 |
[M-H]- | 660.79872 | 198.5 |
[M+NH4]+ | 679.83982 | 206.1 |
[M+K]+ | 700.76916 | 206.4 |
[M+H-H2O]+ | 644.80326 | 193.4 |
[M+HCOO]- | 706.80420 | 211.0 |
[M+CH3COO]- | 720.81985 | 239.7 |
[M+Na-2H]- | 682.78067 | 187.6 |
[M]+ | 661.80545 | 200.3 |
[M]- | 661.80655 | 200.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.