CID 452912

1(ohetome)-6(phethynyl)t

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C#CC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4/c1-12-14(8-7-13-5-3-2-4-6-13)18(11-22-10-9-19)16(21)17-15(12)20/h2-6,19H,9-11H2,1H3,(H,17,20,21)
InChIKey
ILALPBPUIYQOBN-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-(2-phenylethynyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

300.111 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.8
[M+Na]+ 323.10022 179.5
[M-H]- 299.10372 168.2
[M+NH4]+ 318.14482 178.4
[M+K]+ 339.07416 172.8
[M+H-H2O]+ 283.10826 153.9
[M+HCOO]- 345.10920 182.1
[M+CH3COO]- 359.12485 203.6
[M+Na-2H]- 321.08567 170.5
[M]+ 300.11045 164.7
[M]- 300.11155 164.7
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.