CID 9575002

4-amino-1-(4-hydroxyimino-5-hydroxymethyltetrahydrofuran-2-yl)-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C9H12N4O4
SMILES
C\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H12N4O4/c10-7-1-2-13(9(15)11-7)8-3-5(12-16)6(4-14)17-8/h1-2,6,8,14,16H,3-4H2,(H2,10,11,15)/b12-5-/t6-,8-/m1/s1
InChIKey
VPXNAEZRMNESNL-QZDGRMRSSA-N
Compound name
4-amino-1-[(2R,4Z,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.08586 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09314 150.2
[M+Na]+ 263.07508 158.6
[M-H]- 239.07858 154.0
[M+NH4]+ 258.11968 164.2
[M+K]+ 279.04902 156.6
[M+H-H2O]+ 223.08312 142.1
[M+HCOO]- 285.08406 171.6
[M+CH3COO]- 299.09971 191.4
[M+Na-2H]- 261.06053 153.7
[M]+ 240.08531 148.6
[M]- 240.08641 148.6
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.