CID 11644425

Cgp 57380

Structural Information

Molecular Formula
C11H9FN6
SMILES
C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F
InChI
InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)
InChIKey
UQPMANVRZYYQMD-UHFFFAOYSA-N
Compound name
3-N-(4-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

73
References

657
Patents

244.08727 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09455 149.6
[M+Na]+ 267.07649 160.8
[M-H]- 243.07999 150.5
[M+NH4]+ 262.12109 163.2
[M+K]+ 283.05043 154.0
[M+H-H2O]+ 227.08453 139.3
[M+HCOO]- 289.08547 170.7
[M+CH3COO]- 303.10112 161.1
[M+Na-2H]- 265.06194 157.8
[M]+ 244.08672 147.0
[M]- 244.08782 147.0
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

patents stripe