CID 46881008

[hydroxy-[2-[(2r,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]ethyl]phosphoryl]boranuide

Structural Information

Molecular Formula
C11H14BN2O5P
SMILES
[B-]P(=O)(CC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C11H14BN2O5P/c1-7-6-14(11(16)13-10(7)15)9-3-2-8(19-9)4-5-20(12,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,17,18)(H,13,15,16)/q-1/t8-,9+/m0/s1
InChIKey
MKNPCIVZYZCQBG-DTWKUNHWSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.07333 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08061 164.1
[M+Na]+ 319.06255 172.0
[M-H]- 295.06605 164.4
[M+NH4]+ 314.10715 175.8
[M+K]+ 335.03649 169.7
[M+H-H2O]+ 279.07059 157.0
[M+HCOO]- 341.07153 186.0
[M+CH3COO]- 355.08718 193.1
[M+Na-2H]- 317.04800 164.2
[M]+ 296.07278 163.7
[M]- 296.07388 163.7
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.