CID 137952211

2219374-02-2

Structural Information

Molecular Formula
C6H5BrClN5
SMILES
CN1C2=C(C(=N1)Br)N=C(N=C2N)Cl
InChI
InChI=1S/C6H5BrClN5/c1-13-3-2(4(7)12-13)10-6(8)11-5(3)9/h1H3,(H2,9,10,11)
InChIKey
XGQFEVSCLQAMGY-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-1-methylpyrazolo[4,3-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94168 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.94896 140.7
[M+Na]+ 283.93090 158.2
[M-H]- 259.93440 143.9
[M+NH4]+ 278.97550 160.1
[M+K]+ 299.90484 144.9
[M+H-H2O]+ 243.93894 139.6
[M+HCOO]- 305.93988 156.7
[M+CH3COO]- 319.95553 156.2
[M+Na-2H]- 281.91635 149.1
[M]+ 260.94113 162.5
[M]- 260.94223 162.5
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

No patent data available for this compound.