CID 54717412
Schembl13917390
Structural Information
- Molecular Formula
- C21H22FN7O7S
- SMILES
- CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=C(C=C(C=C3)F)N4C=NC(=N4)C(=O)NS(=O)(=O)C)C
- InChI
- InChI=1S/C21H22FN7O7S/c1-21(2)20-25-14(15(30)19(33)28(20)6-7-36-21)17(31)23-9-11-4-5-12(22)8-13(11)29-10-24-16(26-29)18(32)27-37(3,34)35/h4-5,8,10,30H,6-7,9H2,1-3H3,(H,23,31)(H,27,32)
- InChIKey
- IBWJODUVZHBXEH-UHFFFAOYSA-N
- Compound name
- N-[[4-fluoro-2-[3-(methylsulfonylcarbamoyl)-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]+ | 536.13582 | 219.7 |
[M+Na]+ | 558.11776 | 227.7 |
[M-H]- | 534.12126 | 223.5 |
[M+NH4]+ | 553.16236 | 220.7 |
[M+K]+ | 574.09170 | 224.3 |
[M+H-H2O]+ | 518.12580 | 210.2 |
[M+HCOO]- | 580.12674 | 226.2 |
[M+CH3COO]- | 594.14239 | 247.1 |
[M+Na-2H]- | 556.10321 | 221.9 |
[M]+ | 535.12799 | 224.3 |
[M]- | 535.12909 | 224.3 |
Literature stripe
No literature data available for this compound.