CID 61029452

1178290-21-5

Structural Information

Molecular Formula
C9H7BrN6
SMILES
CN1C2=C(C=N1)C(=NC=N2)N3C=C(C=N3)Br
InChI
InChI=1S/C9H7BrN6/c1-15-8-7(3-13-15)9(12-5-11-8)16-4-6(10)2-14-16/h2-5H,1H3
InChIKey
NVIRUNNCFNFKRH-UHFFFAOYSA-N
Compound name
4-(4-bromopyrazol-1-yl)-1-methylpyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.99155 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.99883 160.5
[M+Na]+ 300.98077 165.9
[M+NH4]+ 296.02537 163.8
[M+K]+ 316.95471 168.5
[M-H]- 276.98427 159.7
[M+Na-2H]- 298.96622 164.1
[M]+ 277.99100 159.8
[M]- 277.99210 159.8
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.