CID 475371

Methyl, 2',3'-dideoxyadenosine-5'-(methoxyphosphoryl)formate

Structural Information

Molecular Formula
C13H18N5O5PS
SMILES
COC(=O)P(=S)(OC)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H18N5O5PS/c1-20-13(19)24(25,21-2)22-5-8-3-4-9(23-8)18-7-17-10-11(14)15-6-16-12(10)18/h6-9H,3-5H2,1-2H3,(H2,14,15,16)/t8-,9+,24?/m0/s1
InChIKey
YDCOJRFYKKNBPH-DEWVDULHSA-N
Compound name
methyl [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxyphosphinothioyl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.07663 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08391 182.5
[M+Na]+ 410.06585 190.1
[M-H]- 386.06935 185.3
[M+NH4]+ 405.11045 192.4
[M+K]+ 426.03979 189.8
[M+H-H2O]+ 370.07389 172.7
[M+HCOO]- 432.07483 200.7
[M+CH3COO]- 446.09048 216.3
[M+Na-2H]- 408.05130 180.3
[M]+ 387.07608 189.2
[M]- 387.07718 189.2
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.