CID 6245835

4-[(4-phenoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C27H21NO3
SMILES
C1C/C(=C/C2=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)/b19-17-
InChIKey
PZSKOXZXWJYXCB-ZPHPHTNESA-N
Compound name
(4Z)-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]+ 408.15941 199.0
[M+Na]+ 430.14135 204.4
[M-H]- 406.14485 206.5
[M+NH4]+ 425.18595 208.1
[M+K]+ 446.11529 196.7
[M+H-H2O]+ 390.14939 186.9
[M+HCOO]- 452.15033 213.1
[M+CH3COO]- 466.16598 206.5
[M+Na-2H]- 428.12680 201.9
[M]+ 407.15158 196.0
[M]- 407.15268 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.