CID 460821

2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-ol

Structural Information

Molecular Formula
C12H7Cl2N3O
SMILES
C1=CN2C(=C(N=C2N=C1)C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C12H7Cl2N3O/c13-7-2-3-8(9(14)6-7)10-11(18)17-5-1-4-15-12(17)16-10/h1-6,18H
InChIKey
IKQOSLVCYOVCPY-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)imidazo[1,2-a]pyrimidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.9966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00388 156.2
[M+Na]+ 301.98582 170.2
[M-H]- 277.98932 159.0
[M+NH4]+ 297.03042 172.1
[M+K]+ 317.95976 162.6
[M+H-H2O]+ 261.99386 148.2
[M+HCOO]- 323.99480 167.8
[M+CH3COO]- 338.01045 168.7
[M+Na-2H]- 299.97127 161.7
[M]+ 278.99605 161.2
[M]- 278.99715 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.