CID 6482297

Chembl189271

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C16H20N2O4/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,2-5,8-9,12H2,1H3
InChIKey
UFVNGVHMLRFDRY-UHFFFAOYSA-N
Compound name
6-hept-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

304.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 165.9
[M+Na]+ 327.13152 177.2
[M-H]- 303.13502 164.9
[M+NH4]+ 322.17612 177.7
[M+K]+ 343.10546 172.2
[M+H-H2O]+ 287.13956 151.5
[M+HCOO]- 349.14050 180.3
[M+CH3COO]- 363.15615 206.3
[M+Na-2H]- 325.11697 169.0
[M]+ 304.14175 167.6
[M]- 304.14285 167.6
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.