CID 124999

6-o-methyl-dgmp

Structural Information

Molecular Formula
C11H16N5O7P
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N
InChI
InChI=1S/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
InChIKey
GFRAHVJOXXMIDI-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

361.07874 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.08602 176.8
[M+Na]+ 384.06796 183.5
[M+NH4]+ 379.11256 178.2
[M+K]+ 400.04190 188.6
[M-H]- 360.07146 174.5
[M+Na-2H]- 382.05341 175.9
[M]+ 361.07819 176.3
[M]- 361.07929 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.