CID 512674

5-formyl-6-aza-2'-deoxyuridine

Structural Information

Molecular Formula
C9H11N3O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)C=O)CO)O
InChI
InChI=1S/C9H11N3O6/c13-2-4-8(16)10-9(17)12(11-4)7-1-5(15)6(3-14)18-7/h2,5-7,14-15H,1,3H2,(H,10,16,17)/t5-,6+,7+/m0/s1
InChIKey
UZRLQQOXRVTQJM-RRKCRQDMSA-N
Compound name
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.0648 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07208 152.2
[M+Na]+ 280.05402 162.2
[M-H]- 256.05752 152.8
[M+NH4]+ 275.09862 163.6
[M+K]+ 296.02796 159.4
[M+H-H2O]+ 240.06206 144.7
[M+HCOO]- 302.06300 168.2
[M+CH3COO]- 316.07865 185.9
[M+Na-2H]- 278.03947 154.0
[M]+ 257.06425 152.5
[M]- 257.06535 152.5
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.