CID 5272899

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

Structural Information

Molecular Formula
C17H26N2O5
SMILES
CCCCCCC1=CC2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H26N2O5/c1-2-3-4-5-6-12-7-11-9-19(17(22)18-16(11)23-12)15-8-13(21)14(10-20)24-15/h7,11,13-15,20-21H,2-6,8-10H2,1H3/t11?,13-,14+,15+/m0/s1
InChIKey
JYLCJOAOMIGTPQ-VXTPIPQJSA-N
Compound name
6-hexyl-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

338.18417 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19145 181.5
[M+Na]+ 361.17339 187.3
[M-H]- 337.17689 184.6
[M+NH4]+ 356.21799 193.2
[M+K]+ 377.14733 185.3
[M+H-H2O]+ 321.18143 174.9
[M+HCOO]- 383.18237 193.8
[M+CH3COO]- 397.19802 206.8
[M+Na-2H]- 359.15884 178.8
[M]+ 338.18362 183.3
[M]- 338.18472 183.3
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.