CID 162526

42757-85-7

Structural Information

Molecular Formula
C22H13NO3
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)C(C3=O)C4=NC5=CC=CC=C5C=C4O
InChI
InChI=1S/C22H13NO3/c24-18-11-14-7-3-4-8-17(14)23-20(18)19-21(25)15-9-12-5-1-2-6-13(12)10-16(15)22(19)26/h1-11,19,24H
InChIKey
AQVPQYNGAFRALM-UHFFFAOYSA-N
Compound name
2-(3-hydroxyquinolin-2-yl)cyclopenta[b]naphthalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

339.08954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09682 178.4
[M+Na]+ 362.07876 190.3
[M-H]- 338.08226 186.6
[M+NH4]+ 357.12336 194.8
[M+K]+ 378.05270 182.7
[M+H-H2O]+ 322.08680 169.6
[M+HCOO]- 384.08774 197.6
[M+CH3COO]- 398.10339 190.1
[M+Na-2H]- 360.06421 183.2
[M]+ 339.08899 180.8
[M]- 339.09009 180.8
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

patents stripe