CID 3864272

721903-89-5

Structural Information

Molecular Formula
C20H17NO3
SMILES
CC1CC(=CC2=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)
InChIKey
WDNKRKFOOOXQKH-UHFFFAOYSA-N
Compound name
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 174.0
[M+Na]+ 342.11007 189.1
[M+NH4]+ 337.15467 182.2
[M+K]+ 358.08401 183.3
[M-H]- 318.11357 179.2
[M+Na-2H]- 340.09552 179.7
[M]+ 319.12030 177.7
[M]- 319.12140 177.7
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.