CID 72211716

6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H5BrN4
SMILES
CC1=NC2=NC=NN2C=C1Br
InChI
InChI=1S/C6H5BrN4/c1-4-5(7)2-11-6(10-4)8-3-9-11/h2-3H,1H3
InChIKey
RXKRYWWDMKVXNZ-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.96976 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97704 139.1
[M+Na]+ 234.95898 144.3
[M+NH4]+ 230.00358 143.5
[M+K]+ 250.93292 145.5
[M-H]- 210.96248 138.1
[M+Na-2H]- 232.94443 142.9
[M]+ 211.96921 138.4
[M]- 211.97031 138.4
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

patents stripe