CID 469088

1-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(2-hydroxyethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCO)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O5/c12-15-14-7-3-9(21-8(7)5-18)16-4-6(1-2-17)10(19)13-11(16)20/h4,7-9,17-18H,1-3,5H2,(H,13,19,20)/t7-,8+,9+/m0/s1
InChIKey
QVAMXKHIQQYVPP-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(2-hydroxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10733 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.2
[M+Na]+ 320.09655 170.1
[M-H]- 296.10005 167.4
[M+NH4]+ 315.14115 174.3
[M+K]+ 336.07049 162.4
[M+H-H2O]+ 280.10459 159.1
[M+HCOO]- 342.10553 186.3
[M+CH3COO]- 356.12118 196.5
[M+Na-2H]- 318.08200 169.7
[M]+ 297.10678 160.3
[M]- 297.10788 160.3
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.