CID 387188

Nsc680728

Structural Information

Molecular Formula
C11H10N2O3
SMILES
COC1=NC(=NC=C1C#CC(=O)C=C)OC
InChI
InChI=1S/C11H10N2O3/c1-4-9(14)6-5-8-7-12-11(16-3)13-10(8)15-2/h4,7H,1H2,2-3H3
InChIKey
MPVPQMUPIYEGQL-UHFFFAOYSA-N
Compound name
5-(2,4-dimethoxypyrimidin-5-yl)pent-1-en-4-yn-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 143.6
[M+Na]+ 241.05836 154.0
[M-H]- 217.06186 142.9
[M+NH4]+ 236.10296 157.5
[M+K]+ 257.03230 151.1
[M+H-H2O]+ 201.06640 129.7
[M+HCOO]- 263.06734 159.1
[M+CH3COO]- 277.08299 194.7
[M+Na-2H]- 239.04381 147.3
[M]+ 218.06859 141.3
[M]- 218.06969 141.3
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.