CID 475373

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

Structural Information

Molecular Formula
C12H16N5O5PS
SMILES
COP(=S)(C(=O)O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H16N5O5PS/c1-20-23(24,12(18)19)21-4-7-2-3-8(22-7)17-6-16-9-10(13)14-5-15-11(9)17/h5-8H,2-4H2,1H3,(H,18,19)(H2,13,14,15)/t7-,8+,23?/m0/s1
InChIKey
FDCJSVRMUWGZEI-LVJNNWEISA-N
Compound name
[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxyphosphinothioyl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.06097 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.06825 178.1
[M+Na]+ 396.05019 185.5
[M-H]- 372.05369 179.6
[M+NH4]+ 391.09479 187.7
[M+K]+ 412.02413 184.6
[M+H-H2O]+ 356.05823 168.6
[M+HCOO]- 418.05917 195.0
[M+CH3COO]- 432.07482 211.9
[M+Na-2H]- 394.03564 176.0
[M]+ 373.06042 182.7
[M]- 373.06152 182.7
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.