CID 6334736

Ddt-hp

Structural Information

Molecular Formula
C10H14N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P+](=O)O
InChI
InChI=1S/C10H13N2O6P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(18-8)5-17-19(15)16/h4,7-8H,2-3,5H2,1H3,(H-,11,13,14,15,16)/p+1/t7-,8+/m0/s1
InChIKey
NDGHBKNMUFNTFA-JGVFFNPUSA-O
Compound name
hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.05896 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06624 159.4
[M+Na]+ 312.04818 166.9
[M-H]- 288.05168 161.3
[M+NH4]+ 307.09278 171.4
[M+K]+ 328.02212 160.3
[M+H-H2O]+ 272.05622 152.4
[M+HCOO]- 334.05716 181.7
[M+CH3COO]- 348.07281 186.7
[M+Na-2H]- 310.03363 160.7
[M]+ 289.05841 159.6
[M]- 289.05951 159.6
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.