CID 3010188

115204-62-1

Structural Information

Molecular Formula
C14H15ClN6
SMILES
CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C14H15ClN6/c1-20(2)12-11-13(19-14(15)18-12)21(8-17-11)7-9-3-5-10(16)6-4-9/h3-6,8H,7,16H2,1-2H3
InChIKey
YMZDRVLWLRZEMP-UHFFFAOYSA-N
Compound name
9-[(4-aminophenyl)methyl]-2-chloro-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.10468 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11196 169.4
[M+Na]+ 325.09390 181.1
[M-H]- 301.09740 173.7
[M+NH4]+ 320.13850 183.0
[M+K]+ 341.06784 174.9
[M+H-H2O]+ 285.10194 159.1
[M+HCOO]- 347.10288 187.5
[M+CH3COO]- 361.11853 181.0
[M+Na-2H]- 323.07935 174.6
[M]+ 302.10413 174.0
[M]- 302.10523 174.0
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.