CID 504701

Chembl50488

Structural Information

Molecular Formula
C15H20N4
SMILES
CCN(CC)C1=NC(=CC(=N1)NC2=CC=CC=C2)C
InChI
InChI=1S/C15H20N4/c1-4-19(5-2)15-16-12(3)11-14(18-15)17-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,16,17,18)
InChIKey
DRBSXVOPODHGOI-UHFFFAOYSA-N
Compound name
2-N,2-N-diethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 161.4
[M+Na]+ 279.15802 167.9
[M-H]- 255.16152 166.7
[M+NH4]+ 274.20262 175.7
[M+K]+ 295.13196 164.5
[M+H-H2O]+ 239.16606 151.4
[M+HCOO]- 301.16700 185.3
[M+CH3COO]- 315.18265 205.8
[M+Na-2H]- 277.14347 167.8
[M]+ 256.16825 162.5
[M]- 256.16935 162.5
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

No patent data available for this compound.