CID 492112

Cf1382

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H24N2O5/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/h7,9,13-15,20-21H,2-6,8,10H2,1H3/t13-,14+,15+/m0/s1
InChIKey
MVKQCHZYJORQRZ-RRFJBIMHSA-N
Compound name
6-hexyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

336.16852 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.175796 178.2
[M+Na]+ 359.157738 187.0
[M-H]- 335.161244 182.6
[M+NH4]+ 354.202343 190.3
[M+K]+ 375.131678 184.6
[M+H-H2O]+ 319.165780 171.5
[M+HCOO]- 381.166721 194.9
[M+CH3COO]- 395.182371 205.7
[M+Na-2H]- 357.143186 178.2
[M]+ 336.16797142 184.3
[M]- 336.16906858 184.3
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

patents stripe