CID 512648

1-((2-hydroxyethoxy)methyl)-5-nitorcytosine

Structural Information

Molecular Formula
C7H10N4O5
SMILES
C1=C(C(=NC(=O)N1COCCO)N)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O5/c8-6-5(11(14)15)3-10(7(13)9-6)4-16-2-1-12/h3,12H,1-2,4H2,(H2,8,9,13)
InChIKey
CPWDKIFEUUWDSO-UHFFFAOYSA-N
Compound name
4-amino-1-(2-hydroxyethoxymethyl)-5-nitropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.06512 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07240 143.0
[M+Na]+ 253.05434 151.1
[M-H]- 229.05784 143.1
[M+NH4]+ 248.09894 156.5
[M+K]+ 269.02828 145.2
[M+H-H2O]+ 213.06238 139.9
[M+HCOO]- 275.06332 166.4
[M+CH3COO]- 289.07897 182.4
[M+Na-2H]- 251.03979 151.0
[M]+ 230.06457 142.7
[M]- 230.06567 142.7
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.