CID 5004880

4-benzylidene-1,2,3,4-tetrahydro-acridine-9-carboxylic acid

Structural Information

Molecular Formula
C21H17NO2
SMILES
C1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C21H17NO2/c23-21(24)19-16-10-4-5-12-18(16)22-20-15(9-6-11-17(19)20)13-14-7-2-1-3-8-14/h1-5,7-8,10,12-13H,6,9,11H2,(H,23,24)
InChIKey
DNYHUHLGVWFVQQ-UHFFFAOYSA-N
Compound name
4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 173.8
[M+Na]+ 338.11514 180.3
[M-H]- 314.11864 178.7
[M+NH4]+ 333.15974 187.5
[M+K]+ 354.08908 173.3
[M+H-H2O]+ 298.12318 164.2
[M+HCOO]- 360.12412 189.1
[M+CH3COO]- 374.13977 183.3
[M+Na-2H]- 336.10059 178.4
[M]+ 315.12537 170.1
[M]- 315.12647 170.1
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.