CID 145681

5-nitro-2'-deoxyuridine

Structural Information

Molecular Formula
C9H11N3O7
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])CO)O
InChI
InChI=1S/C9H11N3O7/c13-3-6-5(14)1-7(19-6)11-2-4(12(17)18)8(15)10-9(11)16/h2,5-7,13-14H,1,3H2,(H,10,15,16)/t5-,6+,7+/m0/s1
InChIKey
USBZWPXQQCSGAV-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

27
Patents

273.0597 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06698 152.8
[M+Na]+ 296.04892 160.5
[M-H]- 272.05242 154.9
[M+NH4]+ 291.09352 163.9
[M+K]+ 312.02286 154.2
[M+H-H2O]+ 256.05696 150.2
[M+HCOO]- 318.05790 170.8
[M+CH3COO]- 332.07355 182.2
[M+Na-2H]- 294.03437 157.8
[M]+ 273.05915 150.2
[M]- 273.06025 150.2
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.