CID 6482284

Chembl364716

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-14-10-13-11-18(12-21-9-8-19)16(20)17-15(13)22-14/h10-11,19H,2-9,12H2,1H3
InChIKey
HLBPZNTYZYXUHU-UHFFFAOYSA-N
Compound name
6-heptyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 172.2
[M+Na]+ 331.16282 181.2
[M-H]- 307.16632 173.4
[M+NH4]+ 326.20742 185.8
[M+K]+ 347.13676 178.2
[M+H-H2O]+ 291.17086 164.1
[M+HCOO]- 353.17180 192.3
[M+CH3COO]- 367.18745 203.2
[M+Na-2H]- 329.14827 176.3
[M]+ 308.17305 181.4
[M]- 308.17415 181.4
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.