CID 11196544

2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-a-d-erythro-pentofuranosyl)-5-nitro-

Structural Information

Molecular Formula
C9H12N4O6
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)[N+](=O)[O-])CO)O
InChI
InChI=1S/C9H12N4O6/c10-8-4(13(17)18)2-12(9(16)11-8)7-1-5(15)6(3-14)19-7/h2,5-7,14-15H,1,3H2,(H2,10,11,16)/t5-,6+,7-/m0/s1
InChIKey
XTYLPACOIQIUEQ-XVMARJQXSA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

272.07568 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08296 154.2
[M+Na]+ 295.06490 161.4
[M-H]- 271.06840 157.1
[M+NH4]+ 290.10950 165.6
[M+K]+ 311.03884 155.5
[M+H-H2O]+ 255.07294 151.1
[M+HCOO]- 317.07388 173.8
[M+CH3COO]- 331.08953 187.7
[M+Na-2H]- 293.05035 159.0
[M]+ 272.07513 151.1
[M]- 272.07623 151.1
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.