CID 19917900

2-(bromomethyl)-5-methyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Structural Information

Molecular Formula
C7H7BrN4O
SMILES
CC1=CC(=O)N2C(=N1)N=C(N2)CBr
InChI
InChI=1S/C7H7BrN4O/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12/h2H,3H2,1H3,(H,9,10,11)
InChIKey
XORDKVBKDNMUCU-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

241.98032 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98760 138.7
[M+Na]+ 264.96954 154.9
[M-H]- 240.97304 141.1
[M+NH4]+ 260.01414 157.8
[M+K]+ 280.94348 142.8
[M+H-H2O]+ 224.97758 138.0
[M+HCOO]- 286.97852 157.6
[M+CH3COO]- 300.99417 154.0
[M+Na-2H]- 262.95499 147.8
[M]+ 241.97977 159.6
[M]- 241.98087 159.6
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