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 136.1
[M+Na]+ 248.97463 152.7
[M-H]- 224.97813 139.7
[M+NH4]+ 244.01923 156.5
[M+K]+ 264.94857 141.5
[M+H-H2O]+ 208.98267 135.2
[M+HCOO]- 270.98361 156.1
[M+CH3COO]- 284.99926 152.2
[M+Na-2H]- 246.96008 145.7
[M]+ 225.98486 158.0
[M]- 225.98596 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.