CID 23125107

5,7-dichloroimidazo[1,2-a]pyrimidine

Structural Information

Molecular Formula
C6H3Cl2N3
SMILES
C1=CN2C(=CC(=NC2=N1)Cl)Cl
InChI
InChI=1S/C6H3Cl2N3/c7-4-3-5(8)11-2-1-9-6(11)10-4/h1-3H
InChIKey
WMHORUUVAKBDSV-UHFFFAOYSA-N
Compound name
5,7-dichloroimidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

186.9704 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97768 130.9
[M+Na]+ 209.95962 144.7
[M-H]- 185.96312 131.3
[M+NH4]+ 205.00422 151.0
[M+K]+ 225.93356 139.4
[M+H-H2O]+ 169.96766 124.0
[M+HCOO]- 231.96860 144.3
[M+CH3COO]- 245.98425 145.0
[M+Na-2H]- 207.94507 139.1
[M]+ 186.96985 135.4
[M]- 186.97095 135.4
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