CID 6482085

1-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanone

Structural Information

Molecular Formula
C14H11N3O
SMILES
CC(=O)C1=CC=C(C=C1)C2=CN3C=CC=NC3=N2
InChI
InChI=1S/C14H11N3O/c1-10(18)11-3-5-12(6-4-11)13-9-17-8-2-7-15-14(17)16-13/h2-9H,1H3
InChIKey
RALUOHGXARGLFS-UHFFFAOYSA-N
Compound name
1-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09021 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09749 151.9
[M+Na]+ 260.07943 162.7
[M-H]- 236.08293 156.4
[M+NH4]+ 255.12403 168.3
[M+K]+ 276.05337 157.8
[M+H-H2O]+ 220.08747 142.7
[M+HCOO]- 282.08841 173.6
[M+CH3COO]- 296.10406 164.8
[M+Na-2H]- 258.06488 158.5
[M]+ 237.08966 154.3
[M]- 237.09076 154.3
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

No patent data available for this compound.