CID 54717415
Schembl13917394
Structural Information
- Molecular Formula
- C23H26FN7O6
- SMILES
- CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4C=NC(=N4)C(=O)N(C)CCO)C
- InChI
- InChI=1S/C23H26FN7O6/c1-23(2)22-27-16(17(33)20(35)30(22)7-9-37-23)19(34)25-11-13-4-5-14(24)10-15(13)31-12-26-18(28-31)21(36)29(3)6-8-32/h4-5,10,12,32-33H,6-9,11H2,1-3H3,(H,25,34)
- InChIKey
- SOULCBFLJHWIRX-UHFFFAOYSA-N
- Compound name
- N-[[4-fluoro-2-[3-[2-hydroxyethyl(methyl)carbamoyl]-1,2,4-triazol-1-yl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 516.20018 | 219.7 |
[M+Na]+ | 538.18212 | 226.5 |
[M-H]- | 514.18562 | 223.4 |
[M+NH4]+ | 533.22672 | 220.9 |
[M+K]+ | 554.15606 | 223.6 |
[M+H-H2O]+ | 498.19016 | 207.7 |
[M+HCOO]- | 560.19110 | 230.2 |
[M+CH3COO]- | 574.20675 | 248.6 |
[M+Na-2H]- | 536.16757 | 218.8 |
[M]+ | 515.19235 | 222.7 |
[M]- | 515.19345 | 222.7 |
Literature stripe
No literature data available for this compound.