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]+ 294.217606 170.5
[M+Na]+ 316.199548 177.5
[M-H]- 292.203054 175.7
[M+NH4]+ 311.244153 184.2
[M+K]+ 332.173488 174.7
[M+H-H2O]+ 276.207590 161.2
[M+HCOO]- 338.208531 189.4
[M+CH3COO]- 352.224181 211.3
[M+Na-2H]- 314.184996 170.6
[M]+ 293.20978142 171.0
[M]- 293.21087858 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.