CID 3010194

115204-68-7

Structural Information

Molecular Formula
C15H16ClN5O
SMILES
CN(C)C1=NC(=NC2=C1N=CN2CC3=CC(=CC=C3)OC)Cl
InChI
InChI=1S/C15H16ClN5O/c1-20(2)13-12-14(19-15(16)18-13)21(9-17-12)8-10-5-4-6-11(7-10)22-3/h4-7,9H,8H2,1-3H3
InChIKey
VVULAYVNBARNGS-UHFFFAOYSA-N
Compound name
2-chloro-9-[(3-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.10434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11162 172.5
[M+Na]+ 340.09356 184.4
[M-H]- 316.09706 177.1
[M+NH4]+ 335.13816 185.9
[M+K]+ 356.06750 178.9
[M+H-H2O]+ 300.10160 161.9
[M+HCOO]- 362.10254 189.9
[M+CH3COO]- 376.11819 184.2
[M+Na-2H]- 338.07901 177.5
[M]+ 317.10379 180.3
[M]- 317.10489 180.3
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.