CID 6451139

Pyrimidifen

Structural Information

Molecular Formula
C20H28ClN3O2
SMILES
CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl
InChI
InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
InChIKey
ITKAIUGKVKDENI-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

21568
Patents

377.187 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19428 193.6
[M+Na]+ 400.17622 208.3
[M+NH4]+ 395.22082 200.1
[M+K]+ 416.15016 199.0
[M-H]- 376.17972 197.3
[M+Na-2H]- 398.16167 200.3
[M]+ 377.18645 197.1
[M]- 377.18755 197.1
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