CID 3010161

112089-06-2

Structural Information

Molecular Formula
C15H17N5O
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)OC
InChI
InChI=1S/C15H17N5O/c1-19(2)14-13-15(17-9-16-14)20(10-18-13)8-11-4-6-12(21-3)7-5-11/h4-7,9-10H,8H2,1-3H3
InChIKey
WHBQKZUXPCAMJE-UHFFFAOYSA-N
Compound name
9-[(4-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

283.1433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15058 165.8
[M+Na]+ 306.13252 176.2
[M-H]- 282.13602 170.4
[M+NH4]+ 301.17712 179.5
[M+K]+ 322.10646 172.1
[M+H-H2O]+ 266.14056 155.0
[M+HCOO]- 328.14150 188.0
[M+CH3COO]- 342.15715 177.7
[M+Na-2H]- 304.11797 172.1
[M]+ 283.14275 171.2
[M]- 283.14385 171.2
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.