CID 6482286

Chembl359559

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C20H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-14-17-15-22(16-25-13-12-23)20(24)21-19(17)26-18/h14-15,23H,2-13,16H2,1H3
InChIKey
COXXGHODOAKGER-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-undecylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.2362 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 190.6
[M+Na]+ 387.22542 197.7
[M-H]- 363.22892 191.0
[M+NH4]+ 382.27002 201.8
[M+K]+ 403.19936 193.7
[M+H-H2O]+ 347.23346 181.6
[M+HCOO]- 409.23440 209.2
[M+CH3COO]- 423.25005 215.0
[M+Na-2H]- 385.21087 192.5
[M]+ 364.23565 201.1
[M]- 364.23675 201.1
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.