CID 6482283

Chembl190021

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C18H28N2O4/c1-2-3-4-5-6-7-8-9-16-12-15-13-20(14-23-11-10-21)18(22)19-17(15)24-16/h12-13,21H,2-11,14H2,1H3
InChIKey
UVZATQGYYPYZFZ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-nonylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 181.4
[M+Na]+ 359.19412 189.5
[M-H]- 335.19762 182.3
[M+NH4]+ 354.23872 193.8
[M+K]+ 375.16806 186.0
[M+H-H2O]+ 319.20216 172.9
[M+HCOO]- 381.20310 200.8
[M+CH3COO]- 395.21875 209.1
[M+Na-2H]- 357.17957 184.4
[M]+ 336.20435 191.3
[M]- 336.20545 191.3
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

No patent data available for this compound.