CID 12254548

Di(quinolin-2-yl)methanone

Structural Information

Molecular Formula
C19H12N2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H12N2O/c22-19(17-11-9-13-5-1-3-7-15(13)20-17)18-12-10-14-6-2-4-8-16(14)21-18/h1-12H
InChIKey
GEADAXSXHKZLPU-UHFFFAOYSA-N
Compound name
di(quinolin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

284.09497 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.102246 165.0
[M+Na]+ 307.084188 174.8
[M-H]- 283.087694 170.9
[M+NH4]+ 302.128793 179.3
[M+K]+ 323.058128 167.9
[M+H-H2O]+ 267.092230 154.5
[M+HCOO]- 329.093171 184.9
[M+CH3COO]- 343.108821 176.5
[M+Na-2H]- 305.069636 174.9
[M]+ 284.09442142 166.1
[M]- 284.09551858 166.1
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