CID 11996108

896135-73-2

Structural Information

Molecular Formula
C11H8BrN5
SMILES
C1=CC(=CC(=C1)Br)N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C11H8BrN5/c12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H,(H2,13,14,15)
InChIKey
FDGAKGGKOJTCTR-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.9963 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.003576 152.5
[M+Na]+ 311.985518 167.3
[M-H]- 287.989024 158.5
[M+NH4]+ 307.030123 169.3
[M+K]+ 327.959458 154.4
[M+H-H2O]+ 271.993560 150.1
[M+HCOO]- 333.994501 172.8
[M+CH3COO]- 348.010151 166.9
[M+Na-2H]- 309.970966 161.8
[M]+ 288.99575142 171.8
[M]- 288.99684858 171.8
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