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]+ 242.113536 152.2
[M+Na]+ 264.095478 160.3
[M-H]- 240.098984 154.5
[M+NH4]+ 259.140083 165.9
[M+K]+ 280.069418 158.0
[M+H-H2O]+ 224.103520 144.6
[M+HCOO]- 286.104461 170.6
[M+CH3COO]- 300.120111 188.2
[M+Na-2H]- 262.080926 154.2
[M]+ 241.10571142 150.7
[M]- 241.10680858 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.