CID 11820973

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

Structural Information

Molecular Formula
C23H35BF2N5O15P3
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)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)O
InChI
InChI=1S/C23H35BF2N5O15P3/c1-13-9-31(20(35)28-17(13)32)16-8-14(29-30-27)15(45-16)10-42-49(24,39)46-47(36,37)23(25,26)48(38,43-11-40-18(33)21(2,3)4)44-12-41-19(34)22(5,6)7/h9,14-16H,8,10-12H2,1-7H3,(H,36,37)(H,28,32,35)/q-1/t14-,15+,16+,49-/m0/s1
InChIKey
DIGBAOUYRGLVJV-WVIIDDIRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.1404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.14768 230.0
[M+Na]+ 786.12962 279.1
[M-H]- 762.13312 290.2
[M+NH4]+ 781.17422 290.6
[M+K]+ 802.10356 225.6
[M+H-H2O]+ 746.13766 217.8
[M+HCOO]- 808.13860 293.3
[M+CH3COO]- 822.15425 272.7
[M+Na-2H]- 784.11507 254.8
[M]+ 763.13985 241.2
[M]- 763.14095 241.2
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.