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
1
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]+ 324.10192 174.5
[M+Na]+ 346.08386 185.8
[M-H]- 322.08736 183.9
[M+NH4]+ 341.12846 190.6
[M+K]+ 362.05780 179.1
[M+H-H2O]+ 306.09190 165.3
[M+HCOO]- 368.09284 194.3
[M+CH3COO]- 382.10849 186.6
[M+Na-2H]- 344.06931 181.2
[M]+ 323.09409 176.9
[M]- 323.09519 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.