CID 54684058

Oprea1_069867

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3)O
InChI
InChI=1S/C20H20N2O3/c1-2-3-13-22-16-12-8-7-11-15(16)18(23)17(20(22)25)19(24)21-14-9-5-4-6-10-14/h4-12,23H,2-3,13H2,1H3,(H,21,24)
InChIKey
OSTYNJWCELHMRP-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxy-2-oxo-N-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 179.5
[M+Na]+ 359.13662 187.1
[M-H]- 335.14012 184.6
[M+NH4]+ 354.18122 191.8
[M+K]+ 375.11056 181.4
[M+H-H2O]+ 319.14466 170.2
[M+HCOO]- 381.14560 199.6
[M+CH3COO]- 395.16125 212.6
[M+Na-2H]- 357.12207 183.6
[M]+ 336.14685 181.0
[M]- 336.14795 181.0
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.