CID 54683430
Schembl14129777
Structural Information
- Molecular Formula
- C18H12FN3O3S
- SMILES
- C1=CC(=CC=C1CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=NC=CS4)F
- InChI
- InChI=1S/C18H12FN3O3S/c19-12-3-1-11(2-4-12)9-22-7-6-21-10-13(17-20-5-8-26-17)15(23)16(24)14(21)18(22)25/h1-8,10,24H,9H2
- InChIKey
- WREVAUCCXQSMPR-UHFFFAOYSA-N
- Compound name
- 2-[(4-fluorophenyl)methyl]-9-hydroxy-7-(1,3-thiazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 370.06563 | 183.0 |
[M+Na]+ | 392.04757 | 197.1 |
[M-H]- | 368.05107 | 189.5 |
[M+NH4]+ | 387.09217 | 194.5 |
[M+K]+ | 408.02151 | 189.0 |
[M+H-H2O]+ | 352.05561 | 173.2 |
[M+HCOO]- | 414.05655 | 198.8 |
[M+CH3COO]- | 428.07220 | 194.3 |
[M+Na-2H]- | 390.03302 | 184.4 |
[M]+ | 369.05780 | 188.2 |
[M]- | 369.05890 | 188.2 |
Literature stripe
No literature data available for this compound.