CID 10091038

6-methylthiopurine 5'-monophosphate ribonucleotide

Structural Information

Molecular Formula
C11H15N4O7PS
SMILES
CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
InChIKey
BMYFUCYXRGTQQL-IOSLPCCCSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

378.03992 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04720 180.7
[M+Na]+ 401.02914 188.1
[M+NH4]+ 396.07374 182.8
[M+K]+ 417.00308 190.5
[M-H]- 377.03264 178.1
[M+Na-2H]- 399.01459 179.4
[M]+ 378.03937 180.8
[M]- 378.04047 180.8
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

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