CID 485385

4-amino-1-[[(2r,3s,4s)-3-azido-4-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-methoxy-methyl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H16N6O5
SMILES
COC([C@H]1[C@@H]([C@@](CO1)(CO)O)N=[N+]=[N-])N2C=CC(=NC2=O)N
InChI
InChI=1S/C11H16N6O5/c1-21-9(17-3-2-6(12)14-10(17)19)7-8(15-16-13)11(20,4-18)5-22-7/h2-3,7-9,18,20H,4-5H2,1H3,(H2,12,14,19)/t7-,8+,9?,11+/m1/s1
InChIKey
APZIYDTYEQIBIR-CGFMJKPMSA-N
Compound name
4-amino-1-[[(2R,3S,4S)-3-azido-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-methoxymethyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11823 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12551 162.8
[M+Na]+ 335.10745 168.6
[M-H]- 311.11095 167.9
[M+NH4]+ 330.15205 175.1
[M+K]+ 351.08139 163.2
[M+H-H2O]+ 295.11549 159.0
[M+HCOO]- 357.11643 186.7
[M+CH3COO]- 371.13208 203.4
[M+Na-2H]- 333.09290 170.9
[M]+ 312.11768 160.2
[M]- 312.11878 160.2
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.