CID 3063686

101426-85-1

Structural Information

Molecular Formula
C16H27N3O2
SMILES
CCN(CC)C1=C(N(C(=O)N(C1=O)C2CCCCC2)C)C
InChI
InChI=1S/C16H27N3O2/c1-5-18(6-2)14-12(3)17(4)16(21)19(15(14)20)13-10-8-7-9-11-13/h13H,5-11H2,1-4H3
InChIKey
BWCCWHHYJFNKHN-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-(diethylamino)-1,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21033 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.21761 170.5
[M+Na]+ 316.19955 177.5
[M-H]- 292.20305 175.7
[M+NH4]+ 311.24415 184.2
[M+K]+ 332.17349 174.7
[M+H-H2O]+ 276.20759 161.2
[M+HCOO]- 338.20853 189.4
[M+CH3COO]- 352.22418 211.3
[M+Na-2H]- 314.18500 170.6
[M]+ 293.20978 171.0
[M]- 293.21088 171.0
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.