CID 54679989
Schembl5011866
Structural Information
- Molecular Formula
- C25H29FN8O5
- SMILES
- CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4C=NC(=N4)C(=O)N5CCN(CC5)C)C
- InChI
- InChI=1S/C25H29FN8O5/c1-25(2)24-29-18(19(35)22(37)33(24)10-11-39-25)21(36)27-13-15-4-5-16(26)12-17(15)34-14-28-20(30-34)23(38)32-8-6-31(3)7-9-32/h4-5,12,14,35H,6-11,13H2,1-3H3,(H,27,36)
- InChIKey
- BTXFIDOCDUUPLO-UHFFFAOYSA-N
- Compound name
- N-[[4-fluoro-2-[3-(4-methylpiperazine-1-carbonyl)-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]+ | 541.23178 | 231.0 |
[M+Na]+ | 563.21372 | 237.4 |
[M-H]- | 539.21722 | 234.3 |
[M+NH4]+ | 558.25832 | 228.3 |
[M+K]+ | 579.18766 | 231.7 |
[M+H-H2O]+ | 523.22176 | 216.5 |
[M+HCOO]- | 585.22270 | 234.5 |
[M+CH3COO]- | 599.23835 | 234.2 |
[M+Na-2H]- | 561.19917 | 226.6 |
[M]+ | 540.22395 | 228.9 |
[M]- | 540.22505 | 228.9 |
Literature stripe
No literature data available for this compound.