CID 7674221

22311-71-3

Structural Information

Molecular Formula
C19H15NO3
SMILES
C1C/C(=C/C2=CC=CO2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C19H15NO3/c21-19(22)17-14-7-1-2-9-16(14)20-18-12(5-3-8-15(17)18)11-13-6-4-10-23-13/h1-2,4,6-7,9-11H,3,5,8H2,(H,21,22)/b12-11-
InChIKey
JEPMFTHJOIMUBS-QXMHVHEDSA-N
Compound name
(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 169.0
[M+Na]+ 328.09442 177.5
[M-H]- 304.09792 175.7
[M+NH4]+ 323.13902 184.1
[M+K]+ 344.06836 172.6
[M+H-H2O]+ 288.10246 161.0
[M+HCOO]- 350.10340 186.6
[M+CH3COO]- 364.11905 180.2
[M+Na-2H]- 326.07987 173.3
[M]+ 305.10465 169.2
[M]- 305.10575 169.2
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.