CID 10243482

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

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1[C@@H](OC(O1)(CO)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H13N3O5/c10-6-1-2-12(8(15)11-6)7-3-16-9(4-13,5-14)17-7/h1-2,7,13-14H,3-5H2,(H2,10,11,15)/t7-/m1/s1
InChIKey
YJVDYSOLASUICW-SSDOTTSWSA-N
Compound name
4-amino-1-[(4R)-2,2-bis(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08553 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.092806 149.5
[M+Na]+ 266.074748 158.0
[M-H]- 242.078254 152.5
[M+NH4]+ 261.119353 163.5
[M+K]+ 282.048688 157.7
[M+H-H2O]+ 226.082790 142.7
[M+HCOO]- 288.083731 167.5
[M+CH3COO]- 302.099381 186.1
[M+Na-2H]- 264.060196 154.9
[M]+ 243.08498142 149.7
[M]- 243.08607858 149.7
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.