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

1
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 176.3
[M+Na]+ 384.06796 183.6
[M-H]- 360.07146 175.7
[M+NH4]+ 379.11256 184.4
[M+K]+ 400.04190 183.4
[M+H-H2O]+ 344.07600 166.4
[M+HCOO]- 406.07694 195.3
[M+CH3COO]- 420.09259 208.7
[M+Na-2H]- 382.05341 176.1
[M]+ 361.07819 179.4
[M]- 361.07929 179.4
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

patents stripe