CID 54676773

303093-27-8

Structural Information

Molecular Formula
C20H19BrN2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3Br)O
InChI
InChI=1S/C20H19BrN2O3/c1-2-3-12-23-16-11-7-4-8-13(16)18(24)17(20(23)26)19(25)22-15-10-6-5-9-14(15)21/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKey
YZDVQVBDEXSRPF-UHFFFAOYSA-N
Compound name
N-(2-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 188.8
[M+Na]+ 437.04714 199.1
[M-H]- 413.05064 196.2
[M+NH4]+ 432.09174 201.9
[M+K]+ 453.02108 185.8
[M+H-H2O]+ 397.05518 185.6
[M+HCOO]- 459.05612 206.1
[M+CH3COO]- 473.07177 221.5
[M+Na-2H]- 435.03259 192.7
[M]+ 414.05737 208.9
[M]- 414.05847 208.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.