CID 5276918

Pmtc

Structural Information

Molecular Formula
C9H14N3O7P
SMILES
C1[C@@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OCP(=O)(O)O
InChI
InChI=1S/C9H14N3O7P/c10-6-1-2-12(9(14)11-6)8-7(13)5(3-18-8)19-4-20(15,16)17/h1-2,5,7-8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,7+,8+/m0/s1
InChIKey
CFLDGAQQMRMAMF-UIISKDMLSA-N
Compound name
[(3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

307.05695 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06423 163.4
[M+Na]+ 330.04617 169.8
[M-H]- 306.04967 163.2
[M+NH4]+ 325.09077 173.5
[M+K]+ 346.02011 169.4
[M+H-H2O]+ 290.05421 153.8
[M+HCOO]- 352.05515 184.4
[M+CH3COO]- 366.07080 197.1
[M+Na-2H]- 328.03162 163.7
[M]+ 307.05640 163.1
[M]- 307.05750 163.1
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