CID 6479598

Chembl57561

Structural Information

Molecular Formula
C22H15NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC4=C3C=CC(=C4)C(=O)O
InChI
InChI=1S/C22H15NO2/c24-22(25)18-10-13-20-15(5-3-6-17(20)14-18)8-11-19-12-9-16-4-1-2-7-21(16)23-19/h1-14H,(H,24,25)/b11-8+
InChIKey
KGJVOWMNLZZKMF-DHZHZOJOSA-N
Compound name
5-[(E)-2-quinolin-2-ylethenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1103 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11758 176.7
[M+Na]+ 348.09952 185.8
[M-H]- 324.10302 182.7
[M+NH4]+ 343.14412 190.3
[M+K]+ 364.07346 178.1
[M+H-H2O]+ 308.10756 167.0
[M+HCOO]- 370.10850 195.8
[M+CH3COO]- 384.12415 187.3
[M+Na-2H]- 346.08497 183.8
[M]+ 325.10975 177.6
[M]- 325.11085 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.