CID 3000259

129174-13-6

Structural Information

Molecular Formula
C12H19N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)O)OC
InChI
InChI=1S/C12H19N2O8P/c1-7-4-14(12(16)13-11(7)15)10-3-8(20-2)9(22-10)5-21-6-23(17,18)19/h4,8-10H,3,5-6H2,1-2H3,(H,13,15,16)(H2,17,18,19)/t8-,9+,10+/m0/s1
InChIKey
FYDUXUJLMBAFGB-IVZWLZJFSA-N
Compound name
[(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.0879 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09518 173.9
[M+Na]+ 373.07712 181.0
[M-H]- 349.08062 174.2
[M+NH4]+ 368.12172 183.2
[M+K]+ 389.05106 180.4
[M+H-H2O]+ 333.08516 164.6
[M+HCOO]- 395.08610 193.9
[M+CH3COO]- 409.10175 204.0
[M+Na-2H]- 371.06257 173.1
[M]+ 350.08735 177.7
[M]- 350.08845 177.7
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.