CID 460818

1-[3-(3-hydroxyimidazo[1,2-a]pyrimidin-2-yl)phenyl]ethanone

Structural Information

Molecular Formula
C14H11N3O2
SMILES
CC(=O)C1=CC=CC(=C1)C2=C(N3C=CC=NC3=N2)O
InChI
InChI=1S/C14H11N3O2/c1-9(18)10-4-2-5-11(8-10)12-13(19)17-7-3-6-15-14(17)16-12/h2-8,19H,1H3
InChIKey
GYKDEAGVIRBVNC-UHFFFAOYSA-N
Compound name
1-[3-(3-hydroxyimidazo[1,2-a]pyrimidin-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.08513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 155.5
[M+Na]+ 276.07435 166.7
[M-H]- 252.07785 159.2
[M+NH4]+ 271.11895 170.8
[M+K]+ 292.04829 161.6
[M+H-H2O]+ 236.08239 146.8
[M+HCOO]- 298.08333 176.0
[M+CH3COO]- 312.09898 168.0
[M+Na-2H]- 274.05980 161.1
[M]+ 253.08458 158.0
[M]- 253.08568 158.0
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.