CID 118048223

3-bromo-4h,5h,6h,7h-pyrazolo[1,5-a]pyrazin-4-one

Structural Information

Molecular Formula
C6H6BrN3O
SMILES
C1CN2C(=C(C=N2)Br)C(=O)N1
InChI
InChI=1S/C6H6BrN3O/c7-4-3-9-10-2-1-8-6(11)5(4)10/h3H,1-2H2,(H,8,11)
InChIKey
DJTINKMMVOABCE-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

214.96942 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97670 142.7
[M+Na]+ 237.95864 144.8
[M+NH4]+ 233.00324 146.7
[M+K]+ 253.93258 146.9
[M-H]- 213.96214 140.9
[M+Na-2H]- 235.94409 143.4
[M]+ 214.96887 141.0
[M]- 214.96997 141.0
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