CID 512581

Chembl306857

Structural Information

Molecular Formula
C15H16FN5
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)F
InChI
InChI=1S/C15H16FN5/c1-10-4-6-11(7-5-10)8-21-9-17-12-13(20(2)3)18-15(16)19-14(12)21/h4-7,9H,8H2,1-3H3
InChIKey
UFKHELDOEMHOHN-UHFFFAOYSA-N
Compound name
2-fluoro-N,N-dimethyl-9-[(4-methylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.13898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14626 166.2
[M+Na]+ 308.12820 177.8
[M-H]- 284.13170 169.8
[M+NH4]+ 303.17280 180.3
[M+K]+ 324.10214 172.6
[M+H-H2O]+ 268.13624 154.9
[M+HCOO]- 330.13718 187.2
[M+CH3COO]- 344.15283 178.1
[M+Na-2H]- 306.11365 171.1
[M]+ 285.13843 169.8
[M]- 285.13953 169.8
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.