CID 3045890

61280-28-2

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CCN(CC1)C2=NC(=O)C(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O2/c19-13-12(11-7-3-1-4-8-11)14(20)17-15(16-13)18-9-5-2-6-10-18/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,17,19,20)
InChIKey
KDOTWNMHLRDQRD-UHFFFAOYSA-N
Compound name
5-phenyl-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 165.6
[M+Na]+ 294.121298 170.8
[M-H]- 270.124804 168.8
[M+NH4]+ 289.165903 176.2
[M+K]+ 310.095238 165.3
[M+H-H2O]+ 254.129340 154.8
[M+HCOO]- 316.130281 178.8
[M+CH3COO]- 330.145931 174.3
[M+Na-2H]- 292.106746 167.7
[M]+ 271.13153142 157.3
[M]- 271.13262858 157.3
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.