CID 512582

Chembl70888

Structural Information

Molecular Formula
C15H18N6
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)N
InChI
InChI=1S/C15H18N6/c1-10-4-6-11(7-5-10)8-21-9-17-12-13(20(2)3)18-15(16)19-14(12)21/h4-7,9H,8H2,1-3H3,(H2,16,18,19)
InChIKey
ARFHWVYZDMWTHW-UHFFFAOYSA-N
Compound name
6-N,6-N-dimethyl-9-[(4-methylphenyl)methyl]purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.1593 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16658 167.4
[M+Na]+ 305.14852 178.1
[M-H]- 281.15202 172.1
[M+NH4]+ 300.19312 181.1
[M+K]+ 321.12246 173.1
[M+H-H2O]+ 265.15656 156.9
[M+HCOO]- 327.15750 190.0
[M+CH3COO]- 341.17315 179.1
[M+Na-2H]- 303.13397 172.7
[M]+ 282.15875 170.4
[M]- 282.15985 170.4
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

No patent data available for this compound.