CID 504058

Acetophenone, 2-(4-quinolyl)-

Structural Information

Molecular Formula
C17H13NO
SMILES
CC(=O)C1=CC=CC=C1C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C17H13NO/c1-12(19)13-6-2-3-7-14(13)15-10-11-18-17-9-5-4-8-16(15)17/h2-11H,1H3
InChIKey
GAFINANLKCKRAB-UHFFFAOYSA-N
Compound name
1-(2-quinolin-4-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10700 155.6
[M+Na]+ 270.08894 164.1
[M-H]- 246.09244 161.9
[M+NH4]+ 265.13354 172.2
[M+K]+ 286.06288 158.9
[M+H-H2O]+ 230.09698 146.9
[M+HCOO]- 292.09792 176.7
[M+CH3COO]- 306.11357 167.9
[M+Na-2H]- 268.07439 162.6
[M]+ 247.09917 155.6
[M]- 247.10027 155.6
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.