CID 5272192

4-[(e)-[2-(9h-fluoren-2-yl)-2-oxo-ethylidene]amino]benzoic acid

Structural Information

Molecular Formula
C22H15NO3
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C=NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H15NO3/c24-21(13-23-18-8-5-14(6-9-18)22(25)26)16-7-10-20-17(12-16)11-15-3-1-2-4-19(15)20/h1-10,12-13H,11H2,(H,25,26)
InChIKey
WGASSTAJXHFKHT-UHFFFAOYSA-N
Compound name
4-[[2-(9H-fluoren-2-yl)-2-oxoethylidene]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1052 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11248 179.3
[M+Na]+ 364.09442 186.6
[M-H]- 340.09792 187.9
[M+NH4]+ 359.13902 195.6
[M+K]+ 380.06836 181.0
[M+H-H2O]+ 324.10246 171.2
[M+HCOO]- 386.10340 201.2
[M+CH3COO]- 400.11905 190.4
[M+Na-2H]- 362.07987 182.5
[M]+ 341.10465 180.6
[M]- 341.10575 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.