CID 9903786
Tpca-1
Structural Information
- Molecular Formula
- C12H10FN3O2S
- SMILES
- C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
- InChI
- InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
- InChIKey
- SAYGKHKXGCPTLX-UHFFFAOYSA-N
- Compound name
- 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.05508 | 159.2 |
[M+Na]+ | 302.03702 | 166.7 |
[M-H]- | 278.04052 | 164.5 |
[M+NH4]+ | 297.08162 | 176.0 |
[M+K]+ | 318.01096 | 162.2 |
[M+H-H2O]+ | 262.04506 | 151.1 |
[M+HCOO]- | 324.04600 | 179.0 |
[M+CH3COO]- | 338.06165 | 203.4 |
[M+Na-2H]- | 300.02247 | 157.8 |
[M]+ | 279.04725 | 156.8 |
[M]- | 279.04835 | 156.8 |