CID 476792

Schembl9801921

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CC(C)(C)C(=O)OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N
InChI
InChI=1S/C14H21N3O4/c1-14(2,3)12(18)20-8-9-4-5-11(21-9)17-7-6-10(15)16-13(17)19/h6-7,9,11H,4-5,8H2,1-3H3,(H2,15,16,19)/t9-,11+/m0/s1
InChIKey
QSVCWOONIUHHEF-GXSJLCMTSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.1532 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16048 168.7
[M+Na]+ 318.14242 175.5
[M-H]- 294.14592 173.2
[M+NH4]+ 313.18702 181.4
[M+K]+ 334.11636 174.5
[M+H-H2O]+ 278.15046 160.8
[M+HCOO]- 340.15140 186.4
[M+CH3COO]- 354.16705 202.8
[M+Na-2H]- 316.12787 170.3
[M]+ 295.15265 169.8
[M]- 295.15375 169.8
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

patents stripe