CID 5272194

4-[(e)-[2-oxo-2-(9-phenanthryl)ethylidene]amino]benzoic acid

Structural Information

Molecular Formula
C23H15NO3
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)C=NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H15NO3/c25-22(14-24-17-11-9-15(10-12-17)23(26)27)21-13-16-5-1-2-6-18(16)19-7-3-4-8-20(19)21/h1-14H,(H,26,27)
InChIKey
FMBREPBFHKNVLI-UHFFFAOYSA-N
Compound name
4-[(2-oxo-2-phenanthren-9-ylethylidene)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1052 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11248 181.8
[M+Na]+ 376.09442 189.6
[M-H]- 352.09792 190.3
[M+NH4]+ 371.13902 195.5
[M+K]+ 392.06836 183.7
[M+H-H2O]+ 336.10246 172.2
[M+HCOO]- 398.10340 203.7
[M+CH3COO]- 412.11905 192.5
[M+Na-2H]- 374.07987 188.1
[M]+ 353.10465 183.7
[M]- 353.10575 183.7
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.