CID 143637201

3-bromopyrazolo[1,5-a]pyrimidin-5-amine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
C1=CN2C(=C(C=N2)Br)N=C1N
InChI
InChI=1S/C6H5BrN4/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H,(H2,8,10)
InChIKey
QIUCBKXHLRHWJF-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[1,5-a]pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.96976 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 131.9
[M+Na]+ 234.95898 147.0
[M-H]- 210.96248 136.1
[M+NH4]+ 230.00358 153.2
[M+K]+ 250.93292 135.5
[M+H-H2O]+ 194.96702 130.8
[M+HCOO]- 256.96796 153.8
[M+CH3COO]- 270.98361 147.9
[M+Na-2H]- 232.94443 142.2
[M]+ 211.96921 151.1
[M]- 211.97031 151.1
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.