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]+ 226.992686 136.1
[M+Na]+ 248.974628 152.7
[M-H]- 224.978134 139.7
[M+NH4]+ 244.019233 156.5
[M+K]+ 264.948568 141.5
[M+H-H2O]+ 208.982670 135.2
[M+HCOO]- 270.983611 156.1
[M+CH3COO]- 284.999261 152.2
[M+Na-2H]- 246.960076 145.7
[M]+ 225.98486142 158.0
[M]- 225.98595858 158.0
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

No patent data available for this compound.