CID 854932

2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H7BrN4
SMILES
CC1=CC(=NC2=NC(=NN12)Br)C
InChI
InChI=1S/C7H7BrN4/c1-4-3-5(2)12-7(9-4)10-6(8)11-12/h3H,1-2H3
InChIKey
RZBMEMUKZHCDIF-UHFFFAOYSA-N
Compound name
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98541 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99269 143.6
[M+Na]+ 248.97463 149.0
[M+NH4]+ 244.01923 147.9
[M+K]+ 264.94857 150.1
[M-H]- 224.97813 142.7
[M+Na-2H]- 246.96008 146.9
[M]+ 225.98486 142.9
[M]- 225.98596 142.9
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.