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

literature stripe

Patent stripe

patents stripe