CID 21098054

3-bromo-1-methyl-6-(methylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C7H7BrN4S
SMILES
CN1C2=NC(=NC=C2C(=N1)Br)SC
InChI
InChI=1S/C7H7BrN4S/c1-12-6-4(5(8)11-12)3-9-7(10-6)13-2/h3H,1-2H3
InChIKey
AGHFFRAGILDXOO-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

257.9575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96478 140.8
[M+Na]+ 280.94672 146.0
[M+NH4]+ 275.99132 145.6
[M+K]+ 296.92066 145.7
[M-H]- 256.95022 140.3
[M+Na-2H]- 278.93217 143.9
[M]+ 257.95695 140.7
[M]- 257.95805 140.7
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