CID 451848

114551-78-9

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H11N5O4/c10-14-13-5-1-6(18-7(5)3-15)4-2-11-9(17)12-8(4)16/h2,5-7,15H,1,3H2,(H2,11,12,16,17)/t5-,6+,7+/m0/s1
InChIKey
HQWPHQAIJAAPEE-RRKCRQDMSA-N
Compound name
5-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.0811 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 151.1
[M+Na]+ 276.07032 158.3
[M-H]- 252.07382 155.3
[M+NH4]+ 271.11492 163.8
[M+K]+ 292.04426 150.4
[M+H-H2O]+ 236.07836 147.3
[M+HCOO]- 298.07930 174.7
[M+CH3COO]- 312.09495 186.8
[M+Na-2H]- 274.05577 159.0
[M]+ 253.08055 145.8
[M]- 253.08165 145.8
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.