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

literature stripe

Patent stripe

patents stripe