CID 135508772

Methyl, 2',3'-dideoxyinosine-5'-(methoxythiophosphoryl)formate

Structural Information

Molecular Formula
C13H17N4O6PS
SMILES
COC(=O)P(=S)(OC)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C13H17N4O6PS/c1-20-13(19)24(25,21-2)22-5-8-3-4-9(23-8)17-7-16-10-11(17)14-6-15-12(10)18/h6-9H,3-5H2,1-2H3,(H,14,15,18)/t8-,9+,24?/m0/s1
InChIKey
QGKYOGKWTGTGGX-DEWVDULHSA-N
Compound name
methyl [methoxy-[[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphinothioyl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06792 181.9
[M+Na]+ 411.04986 189.9
[M-H]- 387.05336 183.8
[M+NH4]+ 406.09446 191.5
[M+K]+ 427.02380 189.3
[M+H-H2O]+ 371.05790 172.6
[M+HCOO]- 433.05884 198.5
[M+CH3COO]- 447.07449 210.9
[M+Na-2H]- 409.03531 179.5
[M]+ 388.06009 189.1
[M]- 388.06119 189.1
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.