CID 3007806

6-hexyl-3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C17H24N2O4/c1-2-3-4-5-6-13-9-12-10-19(17(21)18-16(12)23-13)15-8-7-14(11-20)22-15/h9-10,14-15,20H,2-8,11H2,1H3/t14-,15+/m0/s1
InChIKey
BPEUNITZUWVNLM-LSDHHAIUSA-N
Compound name
6-hexyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 175.0
[M+Na]+ 343.16282 183.7
[M-H]- 319.16632 180.4
[M+NH4]+ 338.20742 188.3
[M+K]+ 359.13676 181.4
[M+H-H2O]+ 303.17086 167.9
[M+HCOO]- 365.17180 193.1
[M+CH3COO]- 379.18745 204.4
[M+Na-2H]- 341.14827 175.8
[M]+ 320.17305 181.0
[M]- 320.17415 181.0
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.