CID 3010175

112089-19-7

Structural Information

Molecular Formula

C₁₅H₁₇N₅O

SMILES

CN(C)C1=NC=NC2=C1N=CN2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C15H17N5O/c1-19(2)14-13-15(17-9-16-14)20(10-18-13)8-11-5-4-6-12(7-11)21-3/h4-7,9-10H,8H2,1-3H3

InChIKey

KQILSVQIKSHHMH-UHFFFAOYSA-N

Compound name

9-[(3-methoxyphenyl)methyl]-N,N-dimethylpurin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 283.1433 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe