CID 472595

Schembl3057283

Structural Information

Molecular Formula
C10H13N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CP(=O)(O)O
InChI
InChI=1S/C10H13N2O6P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(18-8)5-19(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey
MLXJMXIPJFZZQG-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

288.05112 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05840 160.6
[M+Na]+ 311.04034 169.3
[M-H]- 287.04384 161.3
[M+NH4]+ 306.08494 172.4
[M+K]+ 327.01428 167.4
[M+H-H2O]+ 271.04838 151.6
[M+HCOO]- 333.04932 182.3
[M+CH3COO]- 347.06497 191.4
[M+Na-2H]- 309.02579 161.3
[M]+ 288.05057 161.8
[M]- 288.05167 161.8
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.