CID 25606
Brn 2800390
Structural Information
- Molecular Formula
- C26H16I6N4O8
- SMILES
- CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I
- InChI
- InChI=1S/C26H16I6N4O8/c1-33-23(39)9-13(27)11(25(41)42)17(31)19(15(9)29)35-21(37)7-3-5-8(6-4-7)22(38)36-20-16(30)10(24(40)34-2)14(28)12(18(20)32)26(43)44/h3-6H,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)
- InChIKey
- DMBFAHBQOUZNMT-UHFFFAOYSA-N
- Compound name
- 3-[[4-[[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbamoyl]benzoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1274.5309 | 274.3 |
[M+Na]+ | 1296.5128 | 263.2 |
[M-H]- | 1272.5163 | 273.1 |
[M+NH4]+ | 1291.5574 | 268.9 |
[M+K]+ | 1312.4868 | 270.6 |
[M+H-H2O]+ | 1256.5209 | 265.2 |
[M+HCOO]- | 1318.5218 | 268.1 |
[M+CH3COO]- | 1332.5375 | 259.6 |
[M+Na-2H]- | 1294.4983 | 311.8 |
[M]+ | 1273.5231 | 268.1 |
[M]- | 1273.5241 | 268.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.