CID 86767876

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

Structural Information

Molecular Formula
C21H15Cl2NO2
SMILES
C1C/C(=C/C2=CC(=C(C=C2)Cl)Cl)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C21H15Cl2NO2/c22-16-9-8-12(11-17(16)23)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-18(14)24-20(13)15/h1-2,5,7-11H,3-4,6H2,(H,25,26)/b13-10-
InChIKey
IZCYJOSBAPLKSB-RAXLEYEMSA-N
Compound name
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.04797 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05525 185.7
[M+Na]+ 406.03719 195.3
[M-H]- 382.04069 190.4
[M+NH4]+ 401.08179 198.8
[M+K]+ 422.01113 186.3
[M+H-H2O]+ 366.04523 177.8
[M+HCOO]- 428.04617 191.5
[M+CH3COO]- 442.06182 194.8
[M+Na-2H]- 404.02264 187.8
[M]+ 383.04742 187.0
[M]- 383.04852 187.0
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.