CID 512580

Chembl538916

Structural Information

Molecular Formula
C17H21N5
SMILES
CCC1=NC2=C(C(=N1)N(C)C)N=CN2CC3=CC=C(C=C3)C
InChI
InChI=1S/C17H21N5/c1-5-14-19-16(21(3)4)15-17(20-14)22(11-18-15)10-13-8-6-12(2)7-9-13/h6-9,11H,5,10H2,1-4H3
InChIKey
URCKQGAGFLJGJO-UHFFFAOYSA-N
Compound name
2-ethyl-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1797 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 172.7
[M+Na]+ 318.16892 183.4
[M-H]- 294.17242 177.3
[M+NH4]+ 313.21352 186.4
[M+K]+ 334.14286 178.1
[M+H-H2O]+ 278.17696 161.9
[M+HCOO]- 340.17790 194.0
[M+CH3COO]- 354.19355 184.3
[M+Na-2H]- 316.15437 177.1
[M]+ 295.17915 177.9
[M]- 295.18025 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.