CID 6334740

D4t-hp

Structural Information

Molecular Formula
C10H12N2O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P+](=O)O
InChI
InChI=1S/C10H11N2O6P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(18-8)5-17-19(15)16/h2-4,7-8H,5H2,1H3,(H-,11,13,14,15,16)/p+1/t7-,8+/m0/s1
InChIKey
KPFAHHDNLPCOCK-JGVFFNPUSA-O
Compound name
hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

287.0433 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05058 158.3
[M+Na]+ 310.03252 166.7
[M-H]- 286.03602 160.6
[M+NH4]+ 305.07712 170.5
[M+K]+ 326.00646 160.0
[M+H-H2O]+ 270.04056 151.3
[M+HCOO]- 332.04150 182.0
[M+CH3COO]- 346.05715 186.3
[M+Na-2H]- 308.01797 160.5
[M]+ 287.04275 159.9
[M]- 287.04385 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe