CID 3437018

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

Structural Information

Molecular Formula
C23H21NO3
SMILES
CC1CC(=CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C23H21NO3/c1-14-11-16(13-15-7-9-17(27-2)10-8-15)22-19(12-14)21(23(25)26)18-5-3-4-6-20(18)24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)
InChIKey
RAEVJWCABIVQLE-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.15213 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.15941 186.8
[M+Na]+ 382.14135 193.9
[M-H]- 358.14485 192.1
[M+NH4]+ 377.18595 199.2
[M+K]+ 398.11529 187.5
[M+H-H2O]+ 342.14939 177.0
[M+HCOO]- 404.15033 201.4
[M+CH3COO]- 418.16598 195.8
[M+Na-2H]- 380.12680 189.0
[M]+ 359.15158 186.0
[M]- 359.15268 186.0
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.