CID 6482282

Chembl439851

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C15H22N2O4/c1-2-3-4-5-6-13-9-12-10-17(11-20-8-7-18)15(19)16-14(12)21-13/h9-10,18H,2-8,11H2,1H3
InChIKey
AQPCGHOMCDJFJZ-UHFFFAOYSA-N
Compound name
6-hexyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 167.6
[M+Na]+ 317.14718 177.0
[M-H]- 293.15068 169.0
[M+NH4]+ 312.19178 181.8
[M+K]+ 333.12112 174.2
[M+H-H2O]+ 277.15522 159.7
[M+HCOO]- 339.15616 188.1
[M+CH3COO]- 353.17181 200.2
[M+Na-2H]- 315.13263 172.2
[M]+ 294.15741 176.5
[M]- 294.15851 176.5
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.