CID 454925

D4a 5'-opsoh2(me)

Structural Information

Molecular Formula
C11H14N5O3PS
SMILES
CP(=S)(O)OC[C@@H]1C=C[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N5O3PS/c1-20(17,21)18-4-7-2-3-8(19-7)16-6-15-9-10(12)13-5-14-11(9)16/h2-3,5-8H,4H2,1H3,(H,17,21)(H2,12,13,14)/t7-,8+,20?/m0/s1
InChIKey
YFKJAQIMGCHGRU-LNDOBYMLSA-N
Compound name
9-[(2R,5S)-5-[[hydroxy(methyl)phosphinothioyl]oxymethyl]-2,5-dihydrofuran-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.0555 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06278 169.6
[M+Na]+ 350.04472 179.5
[M-H]- 326.04822 171.6
[M+NH4]+ 345.08932 181.7
[M+K]+ 366.01866 177.1
[M+H-H2O]+ 310.05276 160.1
[M+HCOO]- 372.05370 188.8
[M+CH3COO]- 386.06935 203.9
[M+Na-2H]- 348.03017 168.6
[M]+ 327.05495 173.8
[M]- 327.05605 173.8
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.