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

1
Patents

319.12085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.128126 174.1
[M+Na]+ 342.110068 183.1
[M-H]- 318.113574 181.1
[M+NH4]+ 337.154673 188.9
[M+K]+ 358.084008 178.0
[M+H-H2O]+ 302.118110 166.2
[M+HCOO]- 364.119051 191.4
[M+CH3COO]- 378.134701 185.3
[M+Na-2H]- 340.095516 177.2
[M]+ 319.12030142 175.1
[M]- 319.12139858 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

patents stripe