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

2
Patents

223.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 150.2
[M+Na]+ 246.12130 157.0
[M-H]- 222.12480 152.2
[M+NH4]+ 241.16590 164.5
[M+K]+ 262.09524 152.6
[M+H-H2O]+ 206.12934 141.8
[M+HCOO]- 268.13028 168.2
[M+CH3COO]- 282.14593 187.4
[M+Na-2H]- 244.10675 153.5
[M]+ 223.13153 144.0
[M]- 223.13263 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