CID 54676681

303093-29-0

Structural Information

Molecular Formula
C20H19BrN2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C20H19BrN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKey
PKUHGAJDPNJEBS-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.05792 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06520 187.2
[M+Na]+ 437.04714 191.9
[M+NH4]+ 432.09174 190.3
[M+K]+ 453.02108 190.5
[M-H]- 413.05064 189.3
[M+Na-2H]- 435.03259 190.5
[M]+ 414.05737 187.3
[M]- 414.05847 187.3
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.