CID 5273869

Schembl14430907

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCOC3
InChI
InChI=1S/C20H30N2O3/c1-2-3-4-5-6-7-8-9-10-18-13-16-14-22(17-11-12-24-15-17)20(23)21-19(16)25-18/h13-14,17H,2-12,15H2,1H3
InChIKey
SHSRHJNTIUZKGD-UHFFFAOYSA-N
Compound name
6-decyl-3-(oxolan-3-yl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.23293 185.7
[M+Na]+ 369.21487 192.7
[M-H]- 345.21837 191.3
[M+NH4]+ 364.25947 198.4
[M+K]+ 385.18881 190.0
[M+H-H2O]+ 329.22291 177.5
[M+HCOO]- 391.22385 204.0
[M+CH3COO]- 405.23950 212.2
[M+Na-2H]- 367.20032 185.7
[M]+ 346.22510 192.5
[M]- 346.22620 192.5
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.