CID 16073656

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

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C=CN1C=CC(=O)N(C1=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C13H11ClN2O2/c1-2-15-8-7-12(17)16(13(15)18)9-10-5-3-4-6-11(10)14/h2-8H,1,9H2
InChIKey
DDAOIWVKAIQMQI-UHFFFAOYSA-N
Compound name
3-[(2-chlorophenyl)methyl]-1-ethenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 153.6
[M+Na]+ 285.04012 165.9
[M-H]- 261.04362 158.4
[M+NH4]+ 280.08472 169.0
[M+K]+ 301.01406 159.4
[M+H-H2O]+ 245.04816 145.7
[M+HCOO]- 307.04910 171.9
[M+CH3COO]- 321.06475 194.5
[M+Na-2H]- 283.02557 158.9
[M]+ 262.05035 157.7
[M]- 262.05145 157.7
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.