CID 6477213

4-amino-1-[(3s,4s)-3,4-bis(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1[C@@H]([C@H](C(O1)N2C=CC(=NC2=O)N)CO)CO
InChI
InChI=1S/C10H15N3O4/c11-8-1-2-13(10(16)12-8)9-7(4-15)6(3-14)5-17-9/h1-2,6-7,9,14-15H,3-5H2,(H2,11,12,16)/t6-,7+,9?/m0/s1
InChIKey
VXOWXVQDPXYREG-PMDVUHRTSA-N
Compound name
4-amino-1-[(3S,4S)-3,4-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.2
[M+Na]+ 264.09548 160.3
[M-H]- 240.09898 154.5
[M+NH4]+ 259.14008 165.9
[M+K]+ 280.06942 158.0
[M+H-H2O]+ 224.10352 144.6
[M+HCOO]- 286.10446 170.6
[M+CH3COO]- 300.12011 188.2
[M+Na-2H]- 262.08093 154.2
[M]+ 241.10571 150.7
[M]- 241.10681 150.7
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

No patent data available for this compound.