CID 6855

Benzoxiquine

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C16H11NO2/c18-16(13-6-2-1-3-7-13)19-14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
InChIKey
BHKPHCKISVSDGV-UHFFFAOYSA-N
Compound name
quinolin-8-yl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

636
Patents

249.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 155.0
[M+Na]+ 272.06820 171.5
[M+NH4]+ 267.11280 164.3
[M+K]+ 288.04214 162.9
[M-H]- 248.07170 160.1
[M+Na-2H]- 270.05365 165.7
[M]+ 249.07843 159.0
[M]- 249.07953 159.0
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

patents stripe