CID 109513

68133-02-8

Structural Information

Molecular Formula
C22H11Br2NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=CC5=C(C=CC(=C5C=C4C3=O)Br)Br)O
InChI
InChI=1S/C22H11Br2NO3/c23-15-5-6-16(24)12-9-14-13(8-11(12)15)21(27)19(22(14)28)20-18(26)7-10-3-1-2-4-17(10)25-20/h1-9,19,26H
InChIKey
FPBQUHACHGFYSM-UHFFFAOYSA-N
Compound name
5,8-dibromo-2-(3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.91058 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.91786 189.0
[M+Na]+ 517.89980 186.6
[M+NH4]+ 512.94440 190.9
[M+K]+ 533.87374 191.6
[M-H]- 493.90330 191.3
[M+Na-2H]- 515.88525 189.4
[M]+ 494.91003 188.4
[M]- 494.91113 188.4
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.