CID 208435

Brn 0758200

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C17H21N3O2/c1-13-15(19-11-7-4-8-12-19)16(21)20(17(22)18(13)2)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKey
AIMWLOZRRNMGRU-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-phenyl-5-piperidin-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 172.2
[M+Na]+ 322.15262 180.7
[M-H]- 298.15612 177.9
[M+NH4]+ 317.19722 183.1
[M+K]+ 338.12656 175.1
[M+H-H2O]+ 282.16066 161.0
[M+HCOO]- 344.16160 189.0
[M+CH3COO]- 358.17725 182.4
[M+Na-2H]- 320.13807 174.1
[M]+ 299.16285 170.1
[M]- 299.16395 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.