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]+ 323.16014 173.6
[M+Na]+ 345.14208 182.9
[M-H]- 321.14558 178.2
[M+NH4]+ 340.18668 186.3
[M+K]+ 361.11602 180.7
[M+H-H2O]+ 305.15012 167.1
[M+HCOO]- 367.15106 190.7
[M+CH3COO]- 381.16671 202.8
[M+Na-2H]- 343.12753 174.1
[M]+ 322.15231 179.4
[M]- 322.15341 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.