CID 21149960

102613-25-2

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CCN(C)C1=C(N(C(=O)N(C1=O)C2CCCCC2)C)C
InChI
InChI=1S/C15H25N3O2/c1-5-16(3)13-11(2)17(4)15(20)18(14(13)19)12-9-7-6-8-10-12/h12H,5-10H2,1-4H3
InChIKey
LCKCBMXQAKDGNS-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-[ethyl(methyl)amino]-1,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 165.9
[M+Na]+ 302.18389 173.5
[M-H]- 278.18739 171.4
[M+NH4]+ 297.22849 180.2
[M+K]+ 318.15783 170.8
[M+H-H2O]+ 262.19193 156.9
[M+HCOO]- 324.19287 185.2
[M+CH3COO]- 338.20852 208.3
[M+Na-2H]- 300.16934 166.7
[M]+ 279.19412 166.1
[M]- 279.19522 166.1
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.