CID 486779

6-benzyl-5-phenyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H14N2O2
SMILES
C1=CC=C(C=C1)CC2=C(C(=O)NC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O2/c20-16-15(13-9-5-2-6-10-13)14(18-17(21)19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21)
InChIKey
YMWSCFLQZJUHPZ-UHFFFAOYSA-N
Compound name
6-benzyl-5-phenyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.5
[M+Na]+ 301.09475 172.4
[M-H]- 277.09825 168.4
[M+NH4]+ 296.13935 174.9
[M+K]+ 317.06869 164.8
[M+H-H2O]+ 261.10279 153.7
[M+HCOO]- 323.10373 183.1
[M+CH3COO]- 337.11938 174.2
[M+Na-2H]- 299.08020 169.3
[M]+ 278.10498 160.7
[M]- 278.10608 160.7
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.