CID 63022092

1327854-82-9

Structural Information

Molecular Formula
C12H10BrN5
SMILES
CNC1=C2C=NN(C2=NC=N1)C3=CC(=CC=C3)Br
InChI
InChI=1S/C12H10BrN5/c1-14-11-10-6-17-18(12(10)16-7-15-11)9-4-2-3-8(13)5-9/h2-7H,1H3,(H,14,15,16)
InChIKey
XKEWXLIIXQEYED-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.01196 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.01924 156.2
[M+Na]+ 326.00118 170.6
[M-H]- 302.00468 162.5
[M+NH4]+ 321.04578 172.7
[M+K]+ 341.97512 157.8
[M+H-H2O]+ 286.00922 153.6
[M+HCOO]- 348.01016 176.8
[M+CH3COO]- 362.02581 170.5
[M+Na-2H]- 323.98663 165.9
[M]+ 303.01141 176.8
[M]- 303.01251 176.8
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

No patent data available for this compound.