CID 63613403

9-[(3-fluorophenyl)methyl]-9h-purin-6-amine

Structural Information

Molecular Formula
C12H10FN5
SMILES
C1=CC(=CC(=C1)F)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H10FN5/c13-9-3-1-2-8(4-9)5-18-7-17-10-11(14)15-6-16-12(10)18/h1-4,6-7H,5H2,(H2,14,15,16)
InChIKey
OSPPGDFSOGSIAD-UHFFFAOYSA-N
Compound name
9-[(3-fluorophenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.09203 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09931 151.8
[M+Na]+ 266.08125 163.9
[M-H]- 242.08475 153.7
[M+NH4]+ 261.12585 166.5
[M+K]+ 282.05519 157.7
[M+H-H2O]+ 226.08929 141.2
[M+HCOO]- 288.09023 172.9
[M+CH3COO]- 302.10588 164.0
[M+Na-2H]- 264.06670 159.0
[M]+ 243.09148 151.9
[M]- 243.09258 151.9
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

patents stripe