CID 7150862

(4-chlorophenyl)(imidazo[1,2-a]pyrimidin-3-yl)methanone

Structural Information

Molecular Formula
C13H8ClN3O
SMILES
C1=CN2C(=CN=C2N=C1)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H8ClN3O/c14-10-4-2-9(3-5-10)12(18)11-8-16-13-15-6-1-7-17(11)13/h1-8H
InChIKey
QONAVQIYUSXPRK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.03558 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.042856 153.5
[M+Na]+ 280.024798 165.4
[M-H]- 256.028304 157.8
[M+NH4]+ 275.069403 169.8
[M+K]+ 295.998738 159.2
[M+H-H2O]+ 240.032840 144.5
[M+HCOO]- 302.033781 170.8
[M+CH3COO]- 316.049431 166.3
[M+Na-2H]- 278.010246 160.1
[M]+ 257.03503142 157.6
[M]- 257.03612858 157.6
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.