CID 16073400
Schembl2836731
Structural Information
- Molecular Formula
- C27H25FN2O7S
- SMILES
- CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=CC=C3C(=O)OC)N(C)S(=O)(=O)C)C4=CC=C(C=C4)F
- InChI
- InChI=1S/C27H25FN2O7S/c1-29-26(31)24-20-13-23(36-15-17-7-5-6-8-19(17)27(32)35-3)21(30(2)38(4,33)34)14-22(20)37-25(24)16-9-11-18(28)12-10-16/h5-14H,15H2,1-4H3,(H,29,31)
- InChIKey
- KBCUCACYZALWJF-UHFFFAOYSA-N
- Compound name
- methyl 2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-[methyl(methylsulfonyl)amino]-1-benzofuran-5-yl]oxymethyl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 541.14394 | 228.9 |
[M+Na]+ | 563.12588 | 235.7 |
[M-H]- | 539.12938 | 241.0 |
[M+NH4]+ | 558.17048 | 235.5 |
[M+K]+ | 579.09982 | 234.6 |
[M+H-H2O]+ | 523.13392 | 218.8 |
[M+HCOO]- | 585.13486 | 245.6 |
[M+CH3COO]- | 599.15051 | 253.7 |
[M+Na-2H]- | 561.11133 | 228.9 |
[M]+ | 540.13611 | 239.8 |
[M]- | 540.13721 | 239.8 |
Literature stripe
No literature data available for this compound.