CID 16073658

3-[(2,6-dichlorophenyl)methyl]-1-vinyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H10Cl2N2O2
SMILES
C=CN1C=CC(=O)N(C1=O)CC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O2/c1-2-16-7-6-12(18)17(13(16)19)8-9-10(14)4-3-5-11(9)15/h2-7H,1,8H2
InChIKey
YNMBUNYPWXHFMV-UHFFFAOYSA-N
Compound name
3-[(2,6-dichlorophenyl)methyl]-1-ethenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.01193 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01921 158.9
[M+Na]+ 319.00115 172.2
[M-H]- 295.00465 163.1
[M+NH4]+ 314.04575 173.5
[M+K]+ 334.97509 164.7
[M+H-H2O]+ 279.00919 151.5
[M+HCOO]- 341.01013 171.9
[M+CH3COO]- 355.02578 200.2
[M+Na-2H]- 316.98660 162.6
[M]+ 296.01138 164.3
[M]- 296.01248 164.3
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.