CID 512145

1-ethyl-6-(4-hexylanilino)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2CC
InChI
InChI=1S/C18H25N3O2/c1-3-5-6-7-8-14-9-11-15(12-10-14)19-16-13-17(22)20-18(23)21(16)4-2/h9-13,19H,3-8H2,1-2H3,(H,20,22,23)
InChIKey
VHOLODKQGMGHSX-UHFFFAOYSA-N
Compound name
1-ethyl-6-(4-hexylanilino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

315.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20195 176.8
[M+Na]+ 338.18389 184.4
[M-H]- 314.18739 179.5
[M+NH4]+ 333.22849 188.0
[M+K]+ 354.15783 178.1
[M+H-H2O]+ 298.19193 167.1
[M+HCOO]- 360.19287 197.3
[M+CH3COO]- 374.20852 209.2
[M+Na-2H]- 336.16934 179.8
[M]+ 315.19412 178.7
[M]- 315.19522 178.7
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.