CID 3010160

112089-05-1

Structural Information

Molecular Formula
C14H14FN5
SMILES
CN(C)C1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)F
InChI
InChI=1S/C14H14FN5/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,7H2,1-2H3
InChIKey
FKKCSBQLQGEVDG-UHFFFAOYSA-N
Compound name
9-[(4-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

271.12332 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13060 160.8
[M+Na]+ 294.11254 172.0
[M-H]- 270.11604 164.2
[M+NH4]+ 289.15714 175.1
[M+K]+ 310.08648 167.0
[M+H-H2O]+ 254.12058 149.4
[M+HCOO]- 316.12152 182.2
[M+CH3COO]- 330.13717 172.8
[M+Na-2H]- 292.09799 167.1
[M]+ 271.12277 163.6
[M]- 271.12387 163.6
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.