CID 2561661
Sodium 3-(3-{[(2,3-dimethylphenyl)carbamoyl]methyl}-1,2,4-oxadiazol-5-yl)propanoate
Structural Information
- Molecular Formula
- C15H17N3O4
- SMILES
- CC1=C(C(=CC=C1)NC(=O)CC2=NOC(=N2)CCC(=O)O)C
- InChI
- InChI=1S/C15H17N3O4/c1-9-4-3-5-11(10(9)2)16-13(19)8-12-17-14(22-18-12)6-7-15(20)21/h3-5H,6-8H2,1-2H3,(H,16,19)(H,20,21)
- InChIKey
- RTOIFSNDSOAJMY-UHFFFAOYSA-N
- Compound name
- 3-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 304.12920 | 170.4 |
[M+Na]+ | 326.11114 | 177.6 |
[M-H]- | 302.11464 | 174.5 |
[M+NH4]+ | 321.15574 | 182.2 |
[M+K]+ | 342.08508 | 175.5 |
[M+H-H2O]+ | 286.11918 | 161.8 |
[M+HCOO]- | 348.12012 | 190.4 |
[M+CH3COO]- | 362.13577 | 204.3 |
[M+Na-2H]- | 324.09659 | 171.7 |
[M]+ | 303.12137 | 173.8 |
[M]- | 303.12247 | 173.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.