CID 469673

Chembl2115447

Structural Information

Molecular Formula
C9H13N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)CP(=O)(O)O
InChI
InChI=1S/C9H13N2O7P/c1-5-2-11(9(13)10-8(5)12)6-3-17-7(18-6)4-19(14,15)16/h2,6-7H,3-4H2,1H3,(H,10,12,13)(H2,14,15,16)/t6-,7-/m1/s1
InChIKey
XEACDODEJOMQKP-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.04605 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05333 161.2
[M+Na]+ 315.03527 169.2
[M-H]- 291.03877 162.3
[M+NH4]+ 310.07987 171.3
[M+K]+ 331.00921 169.1
[M+H-H2O]+ 275.04331 152.3
[M+HCOO]- 337.04425 181.1
[M+CH3COO]- 351.05990 191.7
[M+Na-2H]- 313.02072 162.3
[M]+ 292.04550 162.7
[M]- 292.04660 162.7
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.