CID 10440507
Em-2487
Structural Information
- Molecular Formula
- C32H57N5O16P2
- SMILES
- CC(C)CCCCCCCCCCCN(C)OP(=O)(N(CC(=O)N)P(=O)(O)OC1C(C(C(=C1OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O)O
- InChI
- InChI=1S/C32H57N5O16P2/c1-20(2)13-11-9-7-5-4-6-8-10-12-15-35(3)53-55(48,49)37(17-23(33)39)54(46,47)52-30-27(43)25(41)21(18-38)29(30)50-19-22-26(42)28(44)31(51-22)36-16-14-24(40)34-32(36)45/h14,16,20,22,25-28,30-31,38,41-44H,4-13,15,17-19H2,1-3H3,(H2,33,39)(H,46,47)(H,48,49)(H,34,40,45)
- InChIKey
- MTKDUTOCKQTOED-UHFFFAOYSA-N
- Compound name
- N-(2-amino-2-oxoethyl)-[2-[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy-N-[hydroxy-[methyl(12-methyltridecyl)amino]oxyphosphoryl]phosphonamidic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 830.33488 | 267.7 |
[M+Na]+ | 852.31682 | 270.1 |
[M-H]- | 828.32032 | 268.4 |
[M+NH4]+ | 847.36142 | 268.7 |
[M+K]+ | 868.29076 | 268.2 |
[M+H-H2O]+ | 812.32486 | 251.6 |
[M+HCOO]- | 874.32580 | 269.7 |
[M+CH3COO]- | 888.34145 | 272.8 |
[M+Na-2H]- | 850.30227 | 280.7 |
[M]+ | 829.32705 | 271.1 |
[M]- | 829.32815 | 271.1 |
Literature stripe
Patent stripe
No patent data available for this compound.