CID 5276801

Chembl3753031

Structural Information

Molecular Formula
C20H22N4
SMILES
CN(C)C1=NC(=CC(=N1)NCCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N4/c1-24(2)20-22-18(17-11-7-4-8-12-17)15-19(23-20)21-14-13-16-9-5-3-6-10-16/h3-12,15H,13-14H2,1-2H3,(H,21,22,23)
InChIKey
LFUWWDQCKITUQG-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-6-phenyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

318.18445 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19173 177.4
[M+Na]+ 341.17367 182.9
[M-H]- 317.17717 185.2
[M+NH4]+ 336.21827 188.4
[M+K]+ 357.14761 177.5
[M+H-H2O]+ 301.18171 165.6
[M+HCOO]- 363.18265 200.7
[M+CH3COO]- 377.19830 187.4
[M+Na-2H]- 339.15912 183.8
[M]+ 318.18390 177.4
[M]- 318.18500 177.4
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