CID 59847738

1-(4-fluorophenyl)-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C12H10FN5
SMILES
CC1=NC(=C2C=NN(C2=N1)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C12H10FN5/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-8(13)3-5-9/h2-6H,1H3,(H2,14,16,17)
InChIKey
KOOACUORTLTUSH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.09203 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09931 153.0
[M+Na]+ 266.08125 166.1
[M-H]- 242.08475 155.3
[M+NH4]+ 261.12585 168.0
[M+K]+ 282.05519 159.8
[M+H-H2O]+ 226.08929 142.7
[M+HCOO]- 288.09023 174.1
[M+CH3COO]- 302.10588 165.5
[M+Na-2H]- 264.06670 159.3
[M]+ 243.09148 153.5
[M]- 243.09258 153.5
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