CID 343085

123240-43-7

Structural Information

Molecular Formula
C20H24N6
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)N
InChI
InChI=1S/C20H24N6/c1-3-16-18(19(22)25-20(23)24-16)14-9-10-17(15(21)11-14)26(2)12-13-7-5-4-6-8-13/h4-11H,3,12,21H2,1-2H3,(H4,22,23,24,25)
InChIKey
QGDDCYRVMFKJMA-UHFFFAOYSA-N
Compound name
5-[3-amino-4-[benzyl(methyl)amino]phenyl]-6-ethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.20624 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21352 187.4
[M+Na]+ 371.19546 194.2
[M-H]- 347.19896 195.2
[M+NH4]+ 366.24006 196.8
[M+K]+ 387.16940 188.3
[M+H-H2O]+ 331.20350 176.1
[M+HCOO]- 393.20444 211.0
[M+CH3COO]- 407.22009 229.1
[M+Na-2H]- 369.18091 189.7
[M]+ 348.20569 184.8
[M]- 348.20679 184.8
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.