CID 492111

Chembl3143047

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C16H22N2O5/c1-2-3-4-5-11-6-10-8-18(16(21)17-15(10)22-11)14-7-12(20)13(9-19)23-14/h6,8,12-14,19-20H,2-5,7,9H2,1H3/t12-,13+,14+/m0/s1
InChIKey
WCQCKZORCUABGT-BFHYXJOUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-pentylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.160136 173.6
[M+Na]+ 345.142078 182.9
[M-H]- 321.145584 178.2
[M+NH4]+ 340.186683 186.3
[M+K]+ 361.116018 180.7
[M+H-H2O]+ 305.150120 167.1
[M+HCOO]- 367.151061 190.7
[M+CH3COO]- 381.166711 202.8
[M+Na-2H]- 343.127526 174.1
[M]+ 322.15231142 179.4
[M]- 322.15340858 179.4
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.