CID 2463154
4-chloro-5,6-dimethyl-2-(thiophen-2-yl)thieno[2,3-d]pyrimidine
Structural Information
- Molecular Formula
- C12H9ClN2S2
- SMILES
- CC1=C(SC2=C1C(=NC(=N2)C3=CC=CS3)Cl)C
- InChI
- InChI=1S/C12H9ClN2S2/c1-6-7(2)17-12-9(6)10(13)14-11(15-12)8-4-3-5-16-8/h3-5H,1-2H3
- InChIKey
- NUZLMCLJEKQBSD-UHFFFAOYSA-N
- Compound name
- 4-chloro-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.99684 | 158.3 |
[M+Na]+ | 302.97878 | 174.1 |
[M-H]- | 278.98228 | 165.9 |
[M+NH4]+ | 298.02338 | 179.6 |
[M+K]+ | 318.95272 | 167.6 |
[M+H-H2O]+ | 262.98682 | 154.0 |
[M+HCOO]- | 324.98776 | 169.0 |
[M+CH3COO]- | 339.00341 | 172.6 |
[M+Na-2H]- | 300.96423 | 157.2 |
[M]+ | 279.98901 | 167.0 |
[M]- | 279.99011 | 167.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.