CID 5004882

4-(4-phenoxybenzylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C27H21NO3
SMILES
C1CC(=CC2=CC=C(C=C2)OC3=CC=CC=C3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O
InChI
InChI=1S/C27H21NO3/c29-27(30)25-22-10-4-5-12-24(22)28-26-19(7-6-11-23(25)26)17-18-13-15-21(16-14-18)31-20-8-2-1-3-9-20/h1-5,8-10,12-17H,6-7,11H2,(H,29,30)
InChIKey
PZSKOXZXWJYXCB-UHFFFAOYSA-N
Compound name
4-[(4-phenoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.15213 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.159406 199.0
[M+Na]+ 430.141348 204.4
[M-H]- 406.144854 206.5
[M+NH4]+ 425.185953 208.1
[M+K]+ 446.115288 196.7
[M+H-H2O]+ 390.149390 186.9
[M+HCOO]- 452.150331 213.1
[M+CH3COO]- 466.165981 206.5
[M+Na-2H]- 428.126796 201.9
[M]+ 407.15158142 196.0
[M]- 407.15267858 196.0
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.