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]+ 306.112476 169.0
[M+Na]+ 328.094418 177.5
[M-H]- 304.097924 175.7
[M+NH4]+ 323.139023 184.1
[M+K]+ 344.068358 172.6
[M+H-H2O]+ 288.102460 161.0
[M+HCOO]- 350.103401 186.6
[M+CH3COO]- 364.119051 180.2
[M+Na-2H]- 326.079866 173.3
[M]+ 305.10465142 169.2
[M]- 305.10574858 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.