CID 454928

D4c 5'-opso2h2(me)

Structural Information

Molecular Formula
C10H14N3O4PS
SMILES
CP(=S)(O)OC[C@@H]1C=C[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C10H14N3O4PS/c1-18(15,19)16-6-7-2-3-9(17-7)13-5-4-8(11)12-10(13)14/h2-5,7,9H,6H2,1H3,(H,15,19)(H2,11,12,14)/t7-,9+,18?/m0/s1
InChIKey
SXHYRAMPYJZWLT-CHGFHBQGSA-N
Compound name
4-amino-1-[(2R,5S)-5-[[hydroxy(methyl)phosphinothioyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.04425 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05153 164.0
[M+Na]+ 326.03347 172.2
[M-H]- 302.03697 166.6
[M+NH4]+ 321.07807 176.7
[M+K]+ 342.00741 169.9
[M+H-H2O]+ 286.04151 154.4
[M+HCOO]- 348.04245 184.4
[M+CH3COO]- 362.05810 199.1
[M+Na-2H]- 324.01892 162.9
[M]+ 303.04370 166.6
[M]- 303.04480 166.6
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.