CID 6482301

Chembl191279

Structural Information

Molecular Formula
C20H28N2O4
SMILES
CCCCCCCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C20H28N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-14-17-15-22(16-25-13-12-23)20(24)21-19(17)26-18/h14-15,23H,2-9,12-13,16H2,1H3
InChIKey
VQILOWPDPDNLRJ-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-undec-1-ynylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.2049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21218 181.6
[M+Na]+ 383.19412 191.2
[M-H]- 359.19762 179.9
[M+NH4]+ 378.23872 191.3
[M+K]+ 399.16806 185.4
[M+H-H2O]+ 343.20216 166.5
[M+HCOO]- 405.20310 194.8
[M+CH3COO]- 419.21875 216.9
[M+Na-2H]- 381.17957 182.8
[M]+ 360.20435 184.6
[M]- 360.20545 184.6
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.