CID 59817652

3-bromo-5,7-dichloro-1-methyl-1h-pyrazolo[4,3-d]pyrimidine

Structural Information

Molecular Formula
C6H3BrCl2N4
SMILES
CN1C2=C(C(=N1)Br)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H3BrCl2N4/c1-13-3-2(4(7)12-13)10-6(9)11-5(3)8/h1H3
InChIKey
SAPXRFLCBKPBFP-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dichloro-1-methylpyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.8918 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.89908 139.8
[M+Na]+ 302.88102 158.6
[M-H]- 278.88452 142.7
[M+NH4]+ 297.92562 159.4
[M+K]+ 318.85496 145.0
[M+H-H2O]+ 262.88906 139.3
[M+HCOO]- 324.89000 150.4
[M+CH3COO]- 338.90565 155.4
[M+Na-2H]- 300.86647 148.1
[M]+ 279.89125 163.5
[M]- 279.89235 163.5
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