CID 12803287

5-methyl-ump

Structural Information

Molecular Formula
C10H15N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
IGWHDMPTQKSDTL-JXOAFFINSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

328
Patents

338.0515 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05878 170.3
[M+Na]+ 361.04072 176.7
[M+NH4]+ 356.08532 170.6
[M+K]+ 377.01466 180.7
[M-H]- 337.04422 166.3
[M+Na-2H]- 359.02617 168.0
[M]+ 338.05095 169.1
[M]- 338.05205 169.1
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