CID 135398614

2'-deoxyinosine 5'-monophosphate

Structural Information

Molecular Formula
C10H13N4O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)O)O
InChI
InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
PHNGFPPXDJJADG-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

767
Patents

332.0522 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05948 168.6
[M+Na]+ 355.04142 176.3
[M+NH4]+ 350.08602 170.2
[M+K]+ 371.01536 180.9
[M-H]- 331.04492 165.4
[M+Na-2H]- 353.02687 168.2
[M]+ 332.05165 168.0
[M]- 332.05275 168.0
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