CID 3065456
Brn 5661139
Structural Information
- Molecular Formula
- C20H22N2O5S
- SMILES
- CCOC1=CC=CC=C1C2(CC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O
- InChI
- InChI=1S/C20H22N2O5S/c1-3-27-13-7-5-4-6-12(13)20(8-9-20)19(26)21-14-16(23)22-15(18(24)25)11(2)10-28-17(14)22/h4-7,14,17H,3,8-10H2,1-2H3,(H,21,26)(H,24,25)/t14-,17-/m1/s1
- InChIKey
- JATJHCRHTYNDON-RHSMWYFYSA-N
- Compound name
- (6R,7R)-7-[[1-(2-ethoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 403.13222 | 192.7 |
[M+Na]+ | 425.11416 | 199.5 |
[M+NH4]+ | 420.15876 | 196.5 |
[M+K]+ | 441.08810 | 194.6 |
[M-H]- | 401.11766 | 199.4 |
[M+Na-2H]- | 423.09961 | 197.3 |
[M]+ | 402.12439 | 195.9 |
[M]- | 402.12549 | 195.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.