CID 476789

Schembl9801816

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CCC(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C12H17N3O4/c1-2-11(16)18-7-8-3-4-10(19-8)15-6-5-9(13)14-12(15)17/h5-6,8,10H,2-4,7H2,1H3,(H2,13,14,17)/t8-,10+/m0/s1
InChIKey
UAUUZYJLEGPOPI-WCBMZHEXSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.12192 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 159.4
[M+Na]+ 290.11114 166.6
[M-H]- 266.11464 163.8
[M+NH4]+ 285.15574 173.1
[M+K]+ 306.08508 165.5
[M+H-H2O]+ 250.11918 151.0
[M+HCOO]- 312.12012 179.4
[M+CH3COO]- 326.13577 197.0
[M+Na-2H]- 288.09659 160.9
[M]+ 267.12137 160.4
[M]- 267.12247 160.4
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.