CID 105753

67828-73-3

Structural Information

Molecular Formula
C22H13NO2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=N3)C=C4C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C22H13NO2/c24-22-19-8-4-3-7-18(19)21(25-22)13-15-10-11-17-16-6-2-1-5-14(16)9-12-20(17)23-15/h1-13H
InChIKey
JMTWWDIOGUSVMC-UHFFFAOYSA-N
Compound name
3-(benzo[f]quinolin-3-ylmethylidene)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.09464 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.101916 174.5
[M+Na]+ 346.083858 185.8
[M-H]- 322.087364 183.9
[M+NH4]+ 341.128463 190.6
[M+K]+ 362.057798 179.1
[M+H-H2O]+ 306.091900 165.3
[M+HCOO]- 368.092841 194.3
[M+CH3COO]- 382.108491 186.6
[M+Na-2H]- 344.069306 181.2
[M]+ 323.09409142 176.9
[M]- 323.09518858 176.9
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.