CID 9578750

(1r){[(2s,5r)-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))(2-2,5-dihydrofuryl)]methoxy}boranylcarbonyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H14BN2O12P3
SMILES
[B][P@@](=O)(OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H14BN2O12P3/c1-6-4-13(10(15)12-9(6)14)8-3-2-7(23-8)5-22-26(11,16)24-28(20,21)25-27(17,18)19/h2-4,7-8H,5H2,1H3,(H,20,21)(H,12,14,15)(H2,17,18,19)/t7-,8+,26+/m0/s1
InChIKey
SWFWQKMSXDVNDZ-ZQKNPZHLSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.98526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.99254 187.8
[M+Na]+ 480.97448 191.2
[M-H]- 456.97798 184.8
[M+NH4]+ 476.01908 186.2
[M+K]+ 496.94842 194.9
[M+H-H2O]+ 440.98252 174.2
[M+HCOO]- 502.98346 212.2
[M+CH3COO]- 516.99911 220.3
[M+Na-2H]- 478.95993 191.3
[M]+ 457.98471 193.2
[M]- 457.98581 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.