CID 11820974

[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-hydroxy-phosphoryl]-difluoro-methyl]-hydroxy-phosphoryl]oxy-phosphoryl]boranuide

Structural Information

Molecular Formula
C18H27BF2N5O12P3S
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(C(F)(F)P(=O)(O)OCCSC(=O)C(C)(C)C)O
InChI
InChI=1S/C18H27BF2N5O12P3S/c1-10-8-26(16(29)23-14(10)27)13-7-11(24-25-22)12(37-13)9-36-41(19,34)38-40(32,33)18(20,21)39(30,31)35-5-6-42-15(28)17(2,3)4/h8,11-13H,5-7,9H2,1-4H3,(H,30,31)(H,32,33)(H,23,27,29)/q-1/t11-,12+,13+,41-/m0/s1
InChIKey
DUIXKXZINMHRBQ-HKKZYXAOSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.06506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.07234 250.8
[M+Na]+ 702.05428 258.6
[M-H]- 678.05778 263.0
[M+NH4]+ 697.09888 263.8
[M+K]+ 718.02822 253.8
[M+H-H2O]+ 662.06232 215.4
[M+HCOO]- 724.06326 275.8
[M+CH3COO]- 738.07891 256.3
[M+Na-2H]- 700.03973 247.0
[M]+ 679.06451 245.5
[M]- 679.06561 245.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.