CID 452882

133488-29-6

Structural Information

Molecular Formula
C11H18N4O5
SMILES
CNC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@H](O2)[C@@H](CO)O)N
InChI
InChI=1S/C11H18N4O5/c1-13-6-3-15(11(19)14-10(6)18)8-2-5(12)9(20-8)7(17)4-16/h3,5,7-9,13,16-17H,2,4,12H2,1H3,(H,14,18,19)/t5-,7-,8+,9+/m1/s1
InChIKey
MLJZSZCBYKEMAE-ZLNHGNLKSA-N
Compound name
1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-(methylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.12772 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13500 163.6
[M+Na]+ 309.11694 170.4
[M-H]- 285.12044 164.9
[M+NH4]+ 304.16154 174.4
[M+K]+ 325.09088 167.8
[M+H-H2O]+ 269.12498 155.8
[M+HCOO]- 331.12592 180.4
[M+CH3COO]- 345.14157 198.9
[M+Na-2H]- 307.10239 163.4
[M]+ 286.12717 160.4
[M]- 286.12827 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.