CID 16729177

6-decyl-3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C20H32N2O5
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COC(CO)CO
InChI
InChI=1S/C20H32N2O5/c1-2-3-4-5-6-7-8-9-10-17-11-16-12-22(15-26-18(13-23)14-24)20(25)21-19(16)27-17/h11-12,18,23-24H,2-10,13-15H2,1H3
InChIKey
DNMUNATWUCQJER-UHFFFAOYSA-N
Compound name
6-decyl-3-(1,3-dihydroxypropan-2-yloxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.2311 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23838 193.8
[M+Na]+ 403.22032 199.8
[M-H]- 379.22382 193.0
[M+NH4]+ 398.26492 203.4
[M+K]+ 419.19426 196.3
[M+H-H2O]+ 363.22836 185.1
[M+HCOO]- 425.22930 210.1
[M+CH3COO]- 439.24495 215.6
[M+Na-2H]- 401.20577 194.3
[M]+ 380.23055 203.3
[M]- 380.23165 203.3
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.