CID 87299

17772-51-9

Structural Information

Molecular Formula
C18H11NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=CC=CC=C4C3=O)O)O
InChI
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,20-21H
InChIKey
FZEHABHMMOXCEI-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)inden-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

47
Patents

289.07388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08116 164.2
[M+Na]+ 312.06310 175.4
[M-H]- 288.06660 170.3
[M+NH4]+ 307.10770 181.3
[M+K]+ 328.03704 168.9
[M+H-H2O]+ 272.07114 156.9
[M+HCOO]- 334.07208 183.9
[M+CH3COO]- 348.08773 176.5
[M+Na-2H]- 310.04855 169.0
[M]+ 289.07333 165.4
[M]- 289.07443 165.4
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

patents stripe