CID 84049268

8-bromopyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

Structural Information

Molecular Formula
C5H5BrN6
SMILES
C1=NN2C(=C1Br)N=C(N=C2N)N
InChI
InChI=1S/C5H5BrN6/c6-2-1-9-12-3(2)10-4(7)11-5(12)8/h1H,(H4,7,8,10,11)
InChIKey
YPWPLWLTSDXLOM-UHFFFAOYSA-N
Compound name
8-bromopyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.9759 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98318 134.2
[M+Na]+ 250.96512 149.5
[M-H]- 226.96862 137.1
[M+NH4]+ 246.00972 153.2
[M+K]+ 266.93906 137.4
[M+H-H2O]+ 210.97316 132.1
[M+HCOO]- 272.97410 155.4
[M+CH3COO]- 286.98975 149.4
[M+Na-2H]- 248.95057 143.9
[M]+ 227.97535 152.2
[M]- 227.97645 152.2
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.