CID 5942125

4-(furan-2-ylmethylidene)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C20H17NO3
SMILES
CC1C/C(=C\C2=CC=CO2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C20H17NO3/c1-12-9-13(11-14-5-4-8-24-14)19-16(10-12)18(20(22)23)15-6-2-3-7-17(15)21-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)/b13-11+
InChIKey
WDNKRKFOOOXQKH-ACCUITESSA-N
Compound name
(4E)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 174.1
[M+Na]+ 342.11007 183.1
[M-H]- 318.11357 181.1
[M+NH4]+ 337.15467 188.9
[M+K]+ 358.08401 178.0
[M+H-H2O]+ 302.11811 166.2
[M+HCOO]- 364.11905 191.4
[M+CH3COO]- 378.13470 185.3
[M+Na-2H]- 340.09552 177.2
[M]+ 319.12030 175.1
[M]- 319.12140 175.1
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.