CID 9577440
Ro 413399
Structural Information
- Molecular Formula
- C24H30N8O7S2
- SMILES
- CC/C=C(/COC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)CN=[N+]=[N-])\C(=O)OCC(C)C
- InChI
- InChI=1S/C24H30N8O7S2/c1-5-6-13(22(35)38-8-12(2)3)9-39-23(36)18-14(7-27-31-26)10-40-21-17(20(34)32(18)21)29-19(33)16(30-37-4)15-11-41-24(25)28-15/h6,11-12,17,21H,5,7-10H2,1-4H3,(H2,25,28)(H,29,33)/b13-6-,30-16+/t17-,21-/m1/s1
- InChIKey
- FHPWLEQQFDSPCU-SVEZEBCVSA-N
- Compound name
- [(Z)-2-(2-methylpropoxycarbonyl)pent-2-enyl] (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 607.17518 | 241.3 |
[M+Na]+ | 629.15712 | 232.4 |
[M-H]- | 605.16062 | 244.1 |
[M+NH4]+ | 624.20172 | 234.7 |
[M+K]+ | 645.13106 | 230.3 |
[M+H-H2O]+ | 589.16516 | 225.6 |
[M+HCOO]- | 651.16610 | 248.3 |
[M+CH3COO]- | 665.18175 | 267.1 |
[M+Na-2H]- | 627.14257 | 238.7 |
[M]+ | 606.16735 | 249.3 |
[M]- | 606.16845 | 249.3 |
Literature stripe
Patent stripe
No patent data available for this compound.