CID 5272898

6-heptyl-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C18H28N2O5
SMILES
CCCCCCCC1=CC2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C18H28N2O5/c1-2-3-4-5-6-7-13-8-12-10-20(18(23)19-17(12)24-13)16-9-14(22)15(11-21)25-16/h8,12,14-16,21-22H,2-7,9-11H2,1H3/t12?,14-,15+,16+/m0/s1
InChIKey
LFBDZGNZMMEBNW-YPTPCZDSSA-N
Compound name
6-heptyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.19983 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20711 185.9
[M+Na]+ 375.18905 191.3
[M-H]- 351.19255 188.9
[M+NH4]+ 370.23365 197.0
[M+K]+ 391.16299 189.1
[M+H-H2O]+ 335.19709 179.2
[M+HCOO]- 397.19803 198.0
[M+CH3COO]- 411.21368 209.7
[M+Na-2H]- 373.17450 182.8
[M]+ 352.19928 188.1
[M]- 352.20038 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.