CID 11538045

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(methoxymethyl)phosphinic acid

Structural Information

Molecular Formula
C12H18N5O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(COC)O)N=[N+]=[N-]
InChI
InChI=1S/C12H18N5O7P/c1-7-4-17(12(19)14-11(7)18)10-3-8(15-16-13)9(24-10)5-23-25(20,21)6-22-2/h4,8-10H,3,5-6H2,1-2H3,(H,20,21)(H,14,18,19)/t8-,9+,10+/m0/s1
InChIKey
LMABNVMMXBWTDI-IVZWLZJFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(methoxymethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0944 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10168 177.4
[M+Na]+ 398.08362 182.9
[M-H]- 374.08712 181.9
[M+NH4]+ 393.12822 186.2
[M+K]+ 414.05756 177.7
[M+H-H2O]+ 358.09166 171.0
[M+HCOO]- 420.09260 205.3
[M+CH3COO]- 434.10825 212.7
[M+Na-2H]- 396.06907 183.9
[M]+ 375.09385 178.5
[M]- 375.09495 178.5
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.