CID 135508773

2',3'-dideoxyinosine-5'-(methoxythioxophosphino)formic acid

Structural Information

Molecular Formula
C12H15N4O6PS
SMILES
COP(=S)(C(=O)O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C12H15N4O6PS/c1-20-23(24,12(18)19)21-4-7-2-3-8(22-7)16-6-15-9-10(16)13-5-14-11(9)17/h5-8H,2-4H2,1H3,(H,18,19)(H,13,14,17)/t7-,8+,23?/m0/s1
InChIKey
PDQAKHXGCSXGEJ-LVJNNWEISA-N
Compound name
[methoxy-[[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphinothioyl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.04498 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05226 177.7
[M+Na]+ 397.03420 185.5
[M-H]- 373.03770 178.4
[M+NH4]+ 392.07880 187.0
[M+K]+ 413.00814 184.4
[M+H-H2O]+ 357.04224 168.8
[M+HCOO]- 419.04318 193.1
[M+CH3COO]- 433.05883 206.5
[M+Na-2H]- 395.01965 175.4
[M]+ 374.04443 182.8
[M]- 374.04553 182.8
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.