CID 497656

2(1h)-pyrimidinone, 4-amino-1-[tetrahydro-4-hydroxy-4-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1[C@H](OC[C@]1(CO)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13N3O4/c10-6-1-2-12(8(14)11-6)7-3-9(15,4-13)5-16-7/h1-2,7,13,15H,3-5H2,(H2,10,11,14)/t7-,9-/m0/s1
InChIKey
OVQMPJZXQURDNP-CBAPKCEASA-N
Compound name
4-amino-1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.0906 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 146.1
[M+Na]+ 250.07982 154.7
[M-H]- 226.08332 148.5
[M+NH4]+ 245.12442 162.1
[M+K]+ 266.05376 152.9
[M+H-H2O]+ 210.08786 139.3
[M+HCOO]- 272.08880 164.8
[M+CH3COO]- 286.10445 183.4
[M+Na-2H]- 248.06527 150.8
[M]+ 227.09005 144.2
[M]- 227.09115 144.2
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.