CID 15867825

1-benzyl-3-phenyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)CN2C=CC(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c20-16-11-12-18(13-14-7-3-1-4-8-14)17(21)19(16)15-9-5-2-6-10-15/h1-12H,13H2
InChIKey
GLDGVXRTOLRHMM-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 162.9
[M+Na]+ 301.09475 172.7
[M-H]- 277.09825 170.5
[M+NH4]+ 296.13935 175.8
[M+K]+ 317.06869 166.8
[M+H-H2O]+ 261.10279 152.4
[M+HCOO]- 323.10373 185.5
[M+CH3COO]- 337.11938 175.0
[M+Na-2H]- 299.08020 169.6
[M]+ 278.10498 163.7
[M]- 278.10608 163.7
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.