CID 162378718

2-bromo-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one

Structural Information

Molecular Formula
C5H5BrN4O
SMILES
C1CN2C(=NC(=N2)Br)NC1=O
InChI
InChI=1S/C5H5BrN4O/c6-4-8-5-7-3(11)1-2-10(5)9-4/h1-2H2,(H,7,8,9,11)
InChIKey
DJEASZYTBZZGMJ-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.96468 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97196 135.1
[M+Na]+ 238.95390 148.4
[M-H]- 214.95740 136.3
[M+NH4]+ 233.99850 154.4
[M+K]+ 254.92784 137.4
[M+H-H2O]+ 198.96194 134.2
[M+HCOO]- 260.96288 150.6
[M+CH3COO]- 274.97853 149.3
[M+Na-2H]- 236.93935 142.9
[M]+ 215.96413 150.9
[M]- 215.96523 150.9
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

patents stripe