CID 3005522

Chembl14826

Structural Information

Molecular Formula
C10H17N2O7P
SMILES
CC1=CN(C(=O)NC1=O)COC(CP(=O)(O)O)C(C)O
InChI
InChI=1S/C10H17N2O7P/c1-6-3-12(10(15)11-9(6)14)5-19-8(7(2)13)4-20(16,17)18/h3,7-8,13H,4-5H2,1-2H3,(H,11,14,15)(H2,16,17,18)
InChIKey
VMIBMPHRTBUFKV-UHFFFAOYSA-N
Compound name
[3-hydroxy-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]butyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.07733 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08461 165.9
[M+Na]+ 331.06655 172.6
[M-H]- 307.07005 160.9
[M+NH4]+ 326.11115 175.7
[M+K]+ 347.04049 170.9
[M+H-H2O]+ 291.07459 157.0
[M+HCOO]- 353.07553 184.7
[M+CH3COO]- 367.09118 195.6
[M+Na-2H]- 329.05200 165.0
[M]+ 308.07678 167.9
[M]- 308.07788 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.