CID 3041247

Brn 0663950

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]+ 252.170656 157.1
[M+Na]+ 274.152598 164.5
[M-H]- 250.156104 162.5
[M+NH4]+ 269.197203 172.2
[M+K]+ 290.126538 162.3
[M+H-H2O]+ 234.160640 148.1
[M+HCOO]- 296.161581 177.1
[M+CH3COO]- 310.177231 201.1
[M+Na-2H]- 272.138046 159.5
[M]+ 251.16283142 156.1
[M]- 251.16392858 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.