CID 3072252

Brn 4877319

Structural Information

Molecular Formula
C11H9FN6O
SMILES
C1=CC(=CC=C1NC2=NC3=C(C=NN3)C(=O)N2N)F
InChI
InChI=1S/C11H9FN6O/c12-6-1-3-7(4-2-6)15-11-16-9-8(5-14-17-9)10(19)18(11)13/h1-5H,13H2,(H2,14,15,16,17)
InChIKey
JSDSBSMLLXHUTC-UHFFFAOYSA-N
Compound name
5-amino-6-(4-fluoroanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.08218 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08946 153.7
[M+Na]+ 283.07140 165.9
[M-H]- 259.07490 155.1
[M+NH4]+ 278.11600 166.9
[M+K]+ 299.04534 159.1
[M+H-H2O]+ 243.07944 143.6
[M+HCOO]- 305.08038 175.1
[M+CH3COO]- 319.09603 165.4
[M+Na-2H]- 281.05685 161.0
[M]+ 260.08163 152.2
[M]- 260.08273 152.2
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

No patent data available for this compound.