CID 188953

Fdcmp

Structural Information

Molecular Formula
C9H13FN3O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)COP(=O)(O)O)O
InChI
InChI=1S/C9H13FN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
InChIKey
OPBLKWSMVCXQNV-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

325.04752 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05480 166.2
[M+Na]+ 348.03674 173.6
[M-H]- 324.04024 165.0
[M+NH4]+ 343.08134 175.8
[M+K]+ 364.01068 172.7
[M+H-H2O]+ 308.04478 155.9
[M+HCOO]- 370.04572 186.1
[M+CH3COO]- 384.06137 201.2
[M+Na-2H]- 346.02219 165.4
[M]+ 325.04697 165.3
[M]- 325.04807 165.3
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