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]+ 272.13936 165.6
[M+Na]+ 294.12130 170.8
[M-H]- 270.12480 168.8
[M+NH4]+ 289.16590 176.2
[M+K]+ 310.09524 165.3
[M+H-H2O]+ 254.12934 154.8
[M+HCOO]- 316.13028 178.8
[M+CH3COO]- 330.14593 174.3
[M+Na-2H]- 292.10675 167.7
[M]+ 271.13153 157.3
[M]- 271.13263 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.