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]+ 244.09281 149.5
[M+Na]+ 266.07475 158.0
[M-H]- 242.07825 152.5
[M+NH4]+ 261.11935 163.5
[M+K]+ 282.04869 157.7
[M+H-H2O]+ 226.08279 142.7
[M+HCOO]- 288.08373 167.5
[M+CH3COO]- 302.09938 186.1
[M+Na-2H]- 264.06020 154.9
[M]+ 243.08498 149.7
[M]- 243.08608 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.