CID 208423

Brn 0759149

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2CCCCC2)C)N3CCCCC3
InChI
InChI=1S/C17H27N3O2/c1-13-15(19-11-7-4-8-12-19)16(21)18(2)17(22)20(13)14-9-5-3-6-10-14/h14H,3-12H2,1-2H3
InChIKey
XMJDEZMBJIEZBG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3,6-dimethyl-5-piperidin-1-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 176.5
[M+Na]+ 328.19955 182.0
[M-H]- 304.20305 181.0
[M+NH4]+ 323.24415 187.0
[M+K]+ 344.17349 177.1
[M+H-H2O]+ 288.20759 165.3
[M+HCOO]- 350.20853 189.0
[M+CH3COO]- 364.22418 205.9
[M+Na-2H]- 326.18500 175.4
[M]+ 305.20978 170.2
[M]- 305.21088 170.2
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.