CID 95199

63216-89-7

Structural Information

Molecular Formula
C22H13NO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=N3)C4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H13NO2/c24-21-16-7-3-4-8-17(16)22(25)20(21)19-12-10-15-14-6-2-1-5-13(14)9-11-18(15)23-19/h1-12,20H
InChIKey
WPKTWXFYOAVLHB-UHFFFAOYSA-N
Compound name
2-benzo[f]quinolin-3-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

451
Patents

323.09464 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10192 175.0
[M+Na]+ 346.08386 194.0
[M+NH4]+ 341.12846 185.4
[M+K]+ 362.05780 185.1
[M-H]- 322.08736 181.6
[M+Na-2H]- 344.06931 184.0
[M]+ 323.09409 180.0
[M]- 323.09519 180.0
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