CID 454680
Oph-n(meoco-phet)po3nh azt
Structural Information
- Molecular Formula
- C26H29N6O8P
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC3=CC=CC=C3)C(=O)OC)OC4=CC=CC=C4)N=[N+]=[N-]
- InChI
- InChI=1S/C26H29N6O8P/c1-17-15-32(26(35)28-24(17)33)23-14-20(29-31-27)22(39-23)16-38-41(36,40-19-11-7-4-8-12-19)30-21(25(34)37-2)13-18-9-5-3-6-10-18/h3-12,15,20-23H,13-14,16H2,1-2H3,(H,30,36)(H,28,33,35)/t20-,21-,22+,23+,41?/m0/s1
- InChIKey
- RNDXGSCEGMDMDE-JKMPMCJYSA-N
- Compound name
- methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-phenylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 585.18575 | 227.6 |
[M+Na]+ | 607.16769 | 226.4 |
[M-H]- | 583.17119 | 238.2 |
[M+NH4]+ | 602.21229 | 226.0 |
[M+K]+ | 623.14163 | 221.3 |
[M+H-H2O]+ | 567.17573 | 216.5 |
[M+HCOO]- | 629.17667 | 253.2 |
[M+CH3COO]- | 643.19232 | 256.3 |
[M+Na-2H]- | 605.15314 | 231.6 |
[M]+ | 584.17792 | 227.6 |
[M]- | 584.17902 | 227.6 |
Literature stripe
Patent stripe
No patent data available for this compound.