CID 454930

D4c 5'-opsoh2(ph)

Structural Information

Molecular Formula
C15H16N3O4PS
SMILES
C1=CC=C(C=C1)P(=S)(O)OC[C@@H]2C=C[C@@H](O2)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H16N3O4PS/c16-13-8-9-18(15(19)17-13)14-7-6-11(22-14)10-21-23(20,24)12-4-2-1-3-5-12/h1-9,11,14H,10H2,(H,20,24)(H2,16,17,19)/t11-,14+,23?/m0/s1
InChIKey
DLTOTYMPUDYVLV-AYAKBTHGSA-N
Compound name
4-amino-1-[(2R,5S)-5-[[hydroxy(phenyl)phosphinothioyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.0599 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06718 179.7
[M+Na]+ 388.04912 187.0
[M-H]- 364.05262 185.3
[M+NH4]+ 383.09372 189.3
[M+K]+ 404.02306 183.4
[M+H-H2O]+ 348.05716 168.7
[M+HCOO]- 410.05810 199.9
[M+CH3COO]- 424.07375 210.2
[M+Na-2H]- 386.03457 178.5
[M]+ 365.05935 181.2
[M]- 365.06045 181.2
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.