CID 4962115
2-(chloromethyl)-6-phenyl-3h,4h-thieno[2,3-d]pyrimidin-4-one
Structural Information
- Molecular Formula
- C13H9ClN2OS
- SMILES
- C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)CCl
- InChI
- InChI=1S/C13H9ClN2OS/c14-7-11-15-12(17)9-6-10(18-13(9)16-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,15,16,17)
- InChIKey
- XIZLGTMVTXLUGC-UHFFFAOYSA-N
- Compound name
- 2-(chloromethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.01970 | 156.6 |
[M+Na]+ | 299.00164 | 170.1 |
[M-H]- | 275.00514 | 161.8 |
[M+NH4]+ | 294.04624 | 174.4 |
[M+K]+ | 314.97558 | 162.4 |
[M+H-H2O]+ | 259.00968 | 150.3 |
[M+HCOO]- | 321.01062 | 170.2 |
[M+CH3COO]- | 335.02627 | 169.7 |
[M+Na-2H]- | 296.98709 | 160.4 |
[M]+ | 276.01187 | 162.0 |
[M]- | 276.01297 | 162.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.