CID 504702

Chembl296355

Structural Information

Molecular Formula
C16H22N4
SMILES
CCN(CC)C1=NC(=CC(=N1)N(C)C2=CC=CC=C2)C
InChI
InChI=1S/C16H22N4/c1-5-20(6-2)16-17-13(3)12-15(18-16)19(4)14-10-8-7-9-11-14/h7-12H,5-6H2,1-4H3
InChIKey
BNMBXBTXNQIKRT-UHFFFAOYSA-N
Compound name
2-N,2-N-diethyl-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.18445 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 166.0
[M+Na]+ 293.17367 172.2
[M-H]- 269.17717 172.6
[M+NH4]+ 288.21827 180.4
[M+K]+ 309.14761 170.0
[M+H-H2O]+ 253.18171 155.6
[M+HCOO]- 315.18265 190.1
[M+CH3COO]- 329.19830 212.2
[M+Na-2H]- 291.15912 171.2
[M]+ 270.18390 168.7
[M]- 270.18500 168.7
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

No patent data available for this compound.