CID 135600410

1-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-4-thiol

Structural Information

Molecular Formula
C11H7FN4S
SMILES
C1=CC(=CC=C1N2C3=C(C=N2)C(=S)N=CN3)F
InChI
InChI=1S/C11H7FN4S/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChIKey
CUQSGIOVKIRVCF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-7H-pyrazolo[3,4-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.03755 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04483 149.2
[M+Na]+ 269.02677 163.5
[M-H]- 245.03027 150.8
[M+NH4]+ 264.07137 164.7
[M+K]+ 285.00071 155.8
[M+H-H2O]+ 229.03481 140.6
[M+HCOO]- 291.03575 164.3
[M+CH3COO]- 305.05140 161.8
[M+Na-2H]- 267.01222 153.6
[M]+ 246.03700 150.6
[M]- 246.03810 150.6
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.