CID 6482296

Chembl190688

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C15H18N2O4/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,2-4,7-8,11H2,1H3
InChIKey
XYBZJPVWYHMOFY-UHFFFAOYSA-N
Compound name
6-hex-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 162.0
[M+Na]+ 313.11587 173.6
[M-H]- 289.11937 161.1
[M+NH4]+ 308.16047 174.3
[M+K]+ 329.08981 168.8
[M+H-H2O]+ 273.12391 147.7
[M+HCOO]- 335.12485 176.7
[M+CH3COO]- 349.14050 203.7
[M+Na-2H]- 311.10132 165.5
[M]+ 290.12610 163.4
[M]- 290.12720 163.4
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.