CID 192785

5-methyl-cmp(2-)

Structural Information

Molecular Formula
C10H16N3O8P
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
NJQONZSFUKNYOY-JXOAFFINSA-N
Compound name
[(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

966
Patents

337.0675 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07478 172.0
[M+Na]+ 360.05672 177.8
[M+NH4]+ 355.10132 172.8
[M+K]+ 376.03066 181.6
[M-H]- 336.06022 169.3
[M+Na-2H]- 358.04217 170.1
[M]+ 337.06695 171.1
[M]- 337.06805 171.1
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