CID 135735528

3-bromo-1h,6h,7h-pyrazolo[4,3-d]pyrimidin-7-one

Structural Information

Molecular Formula
C5H3BrN4O
SMILES
C1=NC2=C(NN=C2C(=O)N1)Br
InChI
InChI=1S/C5H3BrN4O/c6-4-2-3(9-10-4)5(11)8-1-7-2/h1H,(H,9,10)(H,7,8,11)
InChIKey
IGKYPDHJIIUUDP-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.94902 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95630 130.4
[M+Na]+ 236.93824 146.1
[M-H]- 212.94174 131.4
[M+NH4]+ 231.98284 149.5
[M+K]+ 252.91218 133.6
[M+H-H2O]+ 196.94628 130.0
[M+HCOO]- 258.94722 148.5
[M+CH3COO]- 272.96287 145.5
[M+Na-2H]- 234.92369 140.8
[M]+ 213.94847 148.5
[M]- 213.94957 148.5
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