CID 12151954

2(1h)-pyrimidinone, 4-amino-5-nitro-1-[(5s)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C9H12N4O5
SMILES
C1CC(O[C@@H]1CO)N2C=C(C(=NC2=O)N)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O5/c10-8-6(13(16)17)3-12(9(15)11-8)7-2-1-5(4-14)18-7/h3,5,7,14H,1-2,4H2,(H2,10,11,15)/t5-,7?/m0/s1
InChIKey
RFZPKGYODAXIRG-DSEUIKHZSA-N
Compound name
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.08078 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08806 151.5
[M+Na]+ 279.07000 158.6
[M-H]- 255.07350 155.4
[M+NH4]+ 274.11460 164.1
[M+K]+ 295.04394 152.9
[M+H-H2O]+ 239.07804 148.1
[M+HCOO]- 301.07898 172.5
[M+CH3COO]- 315.09463 186.4
[M+Na-2H]- 277.05545 157.1
[M]+ 256.08023 148.4
[M]- 256.08133 148.4
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.