CID 54683118

1-butyl-4-hydroxy-n-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC(=C3)C)O
InChI
InChI=1S/C21H22N2O3/c1-3-4-12-23-17-11-6-5-10-16(17)19(24)18(21(23)26)20(25)22-15-9-7-8-14(2)13-15/h5-11,13,24H,3-4,12H2,1-2H3,(H,22,25)
InChIKey
GFAJSMNNGWQOAA-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-N-(3-methylphenyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.4
[M+Na]+ 373.15228 192.5
[M-H]- 349.15578 189.7
[M+NH4]+ 368.19688 196.4
[M+K]+ 389.12622 186.7
[M+H-H2O]+ 333.16032 175.1
[M+HCOO]- 395.16126 204.1
[M+CH3COO]- 409.17691 216.9
[M+Na-2H]- 371.13773 187.2
[M]+ 350.16251 186.6
[M]- 350.16361 186.6
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.