CID 3041247

53727-40-5

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CN1C=C(C(=O)N(C1=O)C2CCCCC2)N(C)C
InChI
InChI=1S/C13H21N3O2/c1-14(2)11-9-15(3)13(18)16(12(11)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKey
LGTBOIFEURNNPJ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 157.1
[M+Na]+ 274.15260 164.5
[M-H]- 250.15610 162.5
[M+NH4]+ 269.19720 172.2
[M+K]+ 290.12654 162.3
[M+H-H2O]+ 234.16064 148.1
[M+HCOO]- 296.16158 177.1
[M+CH3COO]- 310.17723 201.1
[M+Na-2H]- 272.13805 159.5
[M]+ 251.16283 156.1
[M]- 251.16393 156.1
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.