CID 3008451

117627-22-2

Structural Information

Molecular Formula
C12H17N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O
InChI
InChI=1S/C12H17N2O9P/c1-6-3-14(12(19)13-11(6)18)9-2-7(15)8(23-9)4-22-24(20,21)5-10(16)17/h3,7-9,15H,2,4-5H2,1H3,(H,16,17)(H,20,21)(H,13,18,19)/t7-,8+,9+/m0/s1
InChIKey
ADOJKJZWANHDFS-DJLDLDEBSA-N
Compound name
2-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

364.06717 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07445 174.7
[M+Na]+ 387.05639 180.9
[M-H]- 363.05989 173.8
[M+NH4]+ 382.10099 182.3
[M+K]+ 403.03033 180.4
[M+H-H2O]+ 347.06443 165.6
[M+HCOO]- 409.06537 192.5
[M+CH3COO]- 423.08102 204.8
[M+Na-2H]- 385.04184 172.8
[M]+ 364.06662 176.8
[M]- 364.06772 176.8
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.