CID 137628654
(1r,3r,4r,7s)-7-(2-cyanoethoxy(diisopropylamino)phosphinoxy)-1-(4,4'-dimethoxytrityloxymethyl)-3-(thymin-1-yl)-2,5-dioxabicyclo(2:2:1)heptane
Structural Information
- Molecular Formula
- C41H49N4O9P
- SMILES
- CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3C([C@@](O2)(CO3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N
- InChI
- InChI=1S/C41H49N4O9P/c1-27(2)45(28(3)4)55(52-23-11-22-42)54-36-35-38(44-24-29(5)37(46)43-39(44)47)53-40(36,25-50-35)26-51-41(30-12-9-8-10-13-30,31-14-18-33(48-6)19-15-31)32-16-20-34(49-7)21-17-32/h8-10,12-21,24,27-28,35-36,38H,11,23,25-26H2,1-7H3,(H,43,46,47)/t35-,36?,38-,40-,55?/m1/s1
- InChIKey
- STPXOEPMLLHUDQ-DMMPMGKKSA-N
- Compound name
- 3-[[(1R,3R,4R)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 773.33098 | 269.9 |
[M+Na]+ | 795.31292 | 270.7 |
[M-H]- | 771.31642 | 277.0 |
[M+NH4]+ | 790.35752 | 264.5 |
[M+K]+ | 811.28686 | 269.1 |
[M+H-H2O]+ | 755.32096 | 250.3 |
[M+HCOO]- | 817.32190 | 278.6 |
[M+CH3COO]- | 831.33755 | 294.7 |
[M+Na-2H]- | 793.29837 | 286.0 |
[M]+ | 772.32315 | 272.5 |
[M]- | 772.32425 | 272.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.