CID 492109

Cf1662

Structural Information

Molecular Formula
C19H24N2O5
SMILES
C#CCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H24N2O5/c1-2-3-4-5-6-7-8-14-9-13-11-21(19(24)20-18(13)25-14)17-10-15(23)16(12-22)26-17/h1,9,11,15-17,22-23H,3-8,10,12H2/t15-,16+,17+/m0/s1
InChIKey
ZVGLDDPKNGKTOL-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oct-7-ynylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

360.16852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 179.3
[M+Na]+ 383.15774 189.7
[M-H]- 359.16124 180.2
[M+NH4]+ 378.20234 188.5
[M+K]+ 399.13168 184.2
[M+H-H2O]+ 343.16578 165.4
[M+HCOO]- 405.16672 190.0
[M+CH3COO]- 419.18237 215.0
[M+Na-2H]- 381.14319 177.7
[M]+ 360.16797 178.9
[M]- 360.16907 178.9
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.