CID 750789
2-(n-methylthiophene-2-amido)benzoic acid
Structural Information
- Molecular Formula
- C13H11NO3S
- SMILES
- CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=CS2
- InChI
- InChI=1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
- InChIKey
- SAPHZHILWQDBSB-UHFFFAOYSA-N
- Compound name
- 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.05324 | 158.5 |
[M+Na]+ | 284.03518 | 165.3 |
[M-H]- | 260.03868 | 165.9 |
[M+NH4]+ | 279.07978 | 176.8 |
[M+K]+ | 300.00912 | 163.0 |
[M+H-H2O]+ | 244.04322 | 151.9 |
[M+HCOO]- | 306.04416 | 177.8 |
[M+CH3COO]- | 320.05981 | 195.0 |
[M+Na-2H]- | 282.02063 | 158.2 |
[M]+ | 261.04541 | 161.1 |
[M]- | 261.04651 | 161.1 |
Literature stripe
Patent stripe
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