CID 453690

3-meocyclopentt-3c'-p3o9

Structural Information

Molecular Formula
C11H19N2O12P3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](C2)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C11H19N2O12P3/c1-7-5-13(11(15)12-10(7)14)8-2-3-9(4-8)23-6-26(16,17)24-28(21,22)25-27(18,19)20/h5,8-9H,2-4,6H2,1H3,(H,16,17)(H,21,22)(H,12,14,15)(H2,18,19,20)/t8-,9+/m0/s1
InChIKey
OKJVHUVXRPFTFG-DTWKUNHWSA-N
Compound name
[hydroxy(phosphonooxy)phosphoryl]oxy-[[(1R,3S)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.01508 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.02236 187.8
[M+Na]+ 487.00430 189.5
[M-H]- 463.00780 182.3
[M+NH4]+ 482.04890 187.3
[M+K]+ 502.97824 192.0
[M+H-H2O]+ 447.01234 174.6
[M+HCOO]- 509.01328 211.2
[M+CH3COO]- 523.02893 219.0
[M+Na-2H]- 484.98975 189.8
[M]+ 464.01453 189.8
[M]- 464.01563 189.8
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.