CID 208423

2,4(1h,3h)-pyrimidinedione, 1-cyclohexyl-3,6-dimethyl-5-(1-piperidinyl)-

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]+ 306.217606 176.5
[M+Na]+ 328.199548 182.0
[M-H]- 304.203054 181.0
[M+NH4]+ 323.244153 187.0
[M+K]+ 344.173488 177.1
[M+H-H2O]+ 288.207590 165.3
[M+HCOO]- 350.208531 189.0
[M+CH3COO]- 364.224181 205.9
[M+Na-2H]- 326.184996 175.4
[M]+ 305.20978142 170.2
[M]- 305.21087858 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.