CID 28818803
4-methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid
Structural Information
- Molecular Formula
- C12H13N3O3S
- SMILES
- CC1=C(C(=O)N(N=C1C)C)C2=NC(=C(S2)C(=O)O)C
- InChI
- InChI=1S/C12H13N3O3S/c1-5-6(2)14-15(4)11(16)8(5)10-13-7(3)9(19-10)12(17)18/h1-4H3,(H,17,18)
- InChIKey
- IABJIKOAFMMHHZ-UHFFFAOYSA-N
- Compound name
- 4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.07503 | 160.3 |
[M+Na]+ | 302.05697 | 172.9 |
[M-H]- | 278.06047 | 164.0 |
[M+NH4]+ | 297.10157 | 175.1 |
[M+K]+ | 318.03091 | 168.4 |
[M+H-H2O]+ | 262.06501 | 153.4 |
[M+HCOO]- | 324.06595 | 175.5 |
[M+CH3COO]- | 338.08160 | 198.0 |
[M+Na-2H]- | 300.04242 | 157.9 |
[M]+ | 279.06720 | 166.1 |
[M]- | 279.06830 | 166.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.