CID 16073449
Schembl2839913
Structural Information
- Molecular Formula
- C27H25FN2O7S
- SMILES
- CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)C3=CC=C(C=C3)OC)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
- InChI
- InChI=1S/C27H25FN2O7S/c1-29-27(32)25-20-13-24(36-15-22(31)16-7-11-19(35-3)12-8-16)21(30(2)38(4,33)34)14-23(20)37-26(25)17-5-9-18(28)10-6-17/h5-14H,15H2,1-4H3,(H,29,32)
- InChIKey
- OSBZOKNRGOOZRO-UHFFFAOYSA-N
- Compound name
- 2-(4-fluorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethoxy]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 541.14394 | 228.6 |
[M+Na]+ | 563.12588 | 235.4 |
[M-H]- | 539.12938 | 240.7 |
[M+NH4]+ | 558.17048 | 235.1 |
[M+K]+ | 579.09982 | 234.2 |
[M+H-H2O]+ | 523.13392 | 218.5 |
[M+HCOO]- | 585.13486 | 245.3 |
[M+CH3COO]- | 599.15051 | 254.3 |
[M+Na-2H]- | 561.11133 | 228.6 |
[M]+ | 540.13611 | 239.6 |
[M]- | 540.13721 | 239.6 |
Literature stripe
No literature data available for this compound.