CID 451890

3'-n3-arau

Structural Information

Molecular Formula
C9H11N5O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])O
InChI
InChI=1S/C9H11N5O5/c10-13-12-6-4(3-15)19-8(7(6)17)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7+,8-/m1/s1
InChIKey
WQBCHXWMHQMQKW-CCXZUQQUSA-N
Compound name
1-[(2R,3S,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

269.07602 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08330 154.1
[M+Na]+ 292.06524 161.9
[M-H]- 268.06874 158.7
[M+NH4]+ 287.10984 166.3
[M+K]+ 308.03918 154.6
[M+H-H2O]+ 252.07328 150.4
[M+HCOO]- 314.07422 177.8
[M+CH3COO]- 328.08987 190.4
[M+Na-2H]- 290.05069 161.6
[M]+ 269.07547 150.5
[M]- 269.07657 150.5
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

patents stripe