CID 451392

111495-92-2

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CCOC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O5/c1-2-20-7-4-16(11(19)13-10(7)18)9-3-6(14-15-12)8(5-17)21-9/h4,6,8-9,17H,2-3,5H2,1H3,(H,13,18,19)/t6-,8+,9+/m0/s1
InChIKey
JPWIAAWDUJPWOG-NBEYISGCSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-ethoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.4
[M+Na]+ 320.09655 170.6
[M-H]- 296.10005 168.9
[M+NH4]+ 315.14115 175.1
[M+K]+ 336.07049 163.8
[M+H-H2O]+ 280.10459 159.0
[M+HCOO]- 342.10553 187.9
[M+CH3COO]- 356.12118 198.9
[M+Na-2H]- 318.08200 170.2
[M]+ 297.10678 162.2
[M]- 297.10788 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.