CID 655202
3,5-dimethyl-4-oxo-3h,4h-thieno[2,3-d]pyrimidine-6-carboxylic acid
Structural Information
- Molecular Formula
- C9H8N2O3S
- SMILES
- CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)O
- InChI
- InChI=1S/C9H8N2O3S/c1-4-5-7(15-6(4)9(13)14)10-3-11(2)8(5)12/h3H,1-2H3,(H,13,14)
- InChIKey
- UXEKRAQXZUUDCB-UHFFFAOYSA-N
- Compound name
- 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 225.03284 | 143.4 |
[M+Na]+ | 247.01478 | 156.7 |
[M-H]- | 223.01828 | 146.0 |
[M+NH4]+ | 242.05938 | 162.7 |
[M+K]+ | 262.98872 | 152.9 |
[M+H-H2O]+ | 207.02282 | 138.0 |
[M+HCOO]- | 269.02376 | 160.8 |
[M+CH3COO]- | 283.03941 | 185.2 |
[M+Na-2H]- | 245.00023 | 145.7 |
[M]+ | 224.02501 | 149.8 |
[M]- | 224.02611 | 149.8 |