CID 20217044

6-amino-1-(cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H17N3O2
SMILES
C1CCC(CC1)CN2C(=CC(=O)NC2=O)N
InChI
InChI=1S/C11H17N3O2/c12-9-6-10(15)13-11(16)14(9)7-8-4-2-1-3-5-8/h6,8H,1-5,7,12H2,(H,13,15,16)
InChIKey
VAQQYUKMYBFRGG-UHFFFAOYSA-N
Compound name
6-amino-1-(cyclohexylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 150.2
[M+Na]+ 246.121298 157.0
[M-H]- 222.124804 152.2
[M+NH4]+ 241.165903 164.5
[M+K]+ 262.095238 152.6
[M+H-H2O]+ 206.129340 141.8
[M+HCOO]- 268.130281 168.2
[M+CH3COO]- 282.145931 187.4
[M+Na-2H]- 244.106746 153.5
[M]+ 223.13153142 144.0
[M]- 223.13262858 144.0
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

patents stripe