CID 492114

Cf-1368

Structural Information

Molecular Formula
C19H28N2O5
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H28N2O5/c1-2-3-4-5-6-7-8-14-9-13-11-21(19(24)20-18(13)25-14)17-10-15(23)16(12-22)26-17/h9,11,15-17,22-23H,2-8,10,12H2,1H3/t15-,16+,17+/m0/s1
InChIKey
WNJULOODRKXPLP-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

0
Patents

364.19983 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20711 187.3
[M+Na]+ 387.18905 195.1
[M-H]- 363.19255 191.4
[M+NH4]+ 382.23365 198.3
[M+K]+ 403.16299 192.4
[M+H-H2O]+ 347.19709 180.2
[M+HCOO]- 409.19803 203.3
[M+CH3COO]- 423.21368 211.6
[M+Na-2H]- 385.17450 186.2
[M]+ 364.19928 194.0
[M]- 364.20038 194.0
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.