CID 516467

[1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl]-acetic acid

Structural Information

Molecular Formula
C11H14N2O7
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC(=O)O)CO)O
InChI
InChI=1S/C11H14N2O7/c14-4-7-6(15)2-8(20-7)13-3-5(1-9(16)17)10(18)12-11(13)19/h3,6-8,14-15H,1-2,4H2,(H,16,17)(H,12,18,19)/t6-,7+,8+/m0/s1
InChIKey
QWZMVTLEXKTGMB-XLPZGREQSA-N
Compound name
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

286.0801 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08738 158.8
[M+Na]+ 309.06932 166.9
[M-H]- 285.07282 159.2
[M+NH4]+ 304.11392 169.6
[M+K]+ 325.04326 164.5
[M+H-H2O]+ 269.07736 152.0
[M+HCOO]- 331.07830 173.2
[M+CH3COO]- 345.09395 190.2
[M+Na-2H]- 307.05477 158.6
[M]+ 286.07955 158.4
[M]- 286.08065 158.4
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