CID 54678423

300716-16-9

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC(=C3)C)O
InChI
InChI=1S/C22H24N2O3/c1-3-4-7-13-24-18-12-6-5-11-17(18)20(25)19(22(24)27)21(26)23-16-10-8-9-15(2)14-16/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26)
InChIKey
CLODMSNWJKAEQT-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

364.17868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.185956 188.9
[M+Na]+ 387.167898 196.5
[M-H]- 363.171404 194.0
[M+NH4]+ 382.212503 200.4
[M+K]+ 403.141838 190.5
[M+H-H2O]+ 347.175940 179.4
[M+HCOO]- 409.176881 208.2
[M+CH3COO]- 423.192531 219.8
[M+Na-2H]- 385.153346 191.1
[M]+ 364.17813142 191.5
[M]- 364.17922858 191.5
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.