CID 3010167

112089-10-8

Structural Information

Molecular Formula
C14H16N6
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)N
InChI
InChI=1S/C14H16N6/c1-19(2)13-12-14(17-8-16-13)20(9-18-12)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,15H2,1-2H3
InChIKey
ZMZSEVWIPRVBDA-UHFFFAOYSA-N
Compound name
9-[(4-aminophenyl)methyl]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

268.14365 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15093 161.7
[M+Na]+ 291.13287 171.9
[M-H]- 267.13637 166.1
[M+NH4]+ 286.17747 175.7
[M+K]+ 307.10681 167.1
[M+H-H2O]+ 251.14091 151.2
[M+HCOO]- 313.14185 184.7
[M+CH3COO]- 327.15750 173.6
[M+Na-2H]- 289.11832 168.4
[M]+ 268.14310 164.0
[M]- 268.14420 164.0
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.