CID 3067979
82560-53-0
Structural Information
- Molecular Formula
- C23H28N2O6S
- SMILES
- CCOC(=O)CN(C1=CC=C(C=C1)OC)SN(C)C(=O)OC2=CC=CC3=C2OC(C3)(C)C
- InChI
- InChI=1S/C23H28N2O6S/c1-6-29-20(26)15-25(17-10-12-18(28-5)13-11-17)32-24(4)22(27)30-19-9-7-8-16-14-23(2,3)31-21(16)19/h7-13H,6,14-15H2,1-5H3
- InChIKey
- VKAXCLNHFJGFGD-UHFFFAOYSA-N
- Compound name
- ethyl 2-(N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-4-methoxyanilino)acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 461.17408 | 210.5 |
[M+Na]+ | 483.15602 | 214.6 |
[M-H]- | 459.15952 | 220.6 |
[M+NH4]+ | 478.20062 | 223.3 |
[M+K]+ | 499.12996 | 215.9 |
[M+H-H2O]+ | 443.16406 | 202.8 |
[M+HCOO]- | 505.16500 | 227.4 |
[M+CH3COO]- | 519.18065 | 240.5 |
[M+Na-2H]- | 481.14147 | 210.3 |
[M]+ | 460.16625 | 222.1 |
[M]- | 460.16735 | 222.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.