CID 46881005

[2-[(2r,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]ethyl-hydroxy-phosphoryl]boranuide

Structural Information

Molecular Formula
C11H15BN5O5P
SMILES
[B-]P(=O)(CC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O
InChI
InChI=1S/C11H15BN5O5P/c1-6-5-17(11(19)14-10(6)18)9-4-7(15-16-13)8(22-9)2-3-23(12,20)21/h5,7-9H,2-4H2,1H3,(H,20,21)(H,14,18,19)/q-1/t7-,8+,9+/m0/s1
InChIKey
YKGUZPCQBYROQZ-DJLDLDEBSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.0904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09768 173.7
[M+Na]+ 362.07962 179.2
[M-H]- 338.08312 176.8
[M+NH4]+ 357.12422 183.4
[M+K]+ 378.05356 172.4
[M+H-H2O]+ 322.08766 169.9
[M+HCOO]- 384.08860 200.3
[M+CH3COO]- 398.10425 204.4
[M+Na-2H]- 360.06507 178.9
[M]+ 339.08985 169.4
[M]- 339.09095 169.4
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.