CID 53477735

Ctmp

Structural Information

Molecular Formula
C10H13N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3C(O2)COP(=O)(O3)O
InChI
InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)/t6?,7?,8-/m1/s1
InChIKey
QSJFDOVQWZVUQG-KAVNDROISA-N
Compound name
1-[(6R)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

304.04605 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05333 162.6
[M+Na]+ 327.03527 171.9
[M-H]- 303.03877 166.3
[M+NH4]+ 322.07987 174.6
[M+K]+ 343.00921 172.8
[M+H-H2O]+ 287.04331 153.8
[M+HCOO]- 349.04425 181.0
[M+CH3COO]- 363.05990 196.8
[M+Na-2H]- 325.02072 164.3
[M]+ 304.04550 164.3
[M]- 304.04660 164.3
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