CID 475377

Nsc649648

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O5/c11-14-13-6-1-8(20-7(6)4-17)15-2-5(3-16)9(18)12-10(15)19/h2,6-8,16-17H,1,3-4H2,(H,12,18,19)/t6-,7+,8+/m0/s1
InChIKey
RWWCQPDOGNVOKZ-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.09167 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 158.7
[M+Na]+ 306.08089 166.0
[M-H]- 282.08439 163.1
[M+NH4]+ 301.12549 170.3
[M+K]+ 322.05483 158.5
[M+H-H2O]+ 266.08893 154.7
[M+HCOO]- 328.08987 182.1
[M+CH3COO]- 342.10552 193.4
[M+Na-2H]- 304.06634 165.6
[M]+ 283.09112 155.4
[M]- 283.09222 155.4
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.