CID 54684080

300716-31-8

Structural Information

Molecular Formula
C21H21BrN2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C21H21BrN2O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-15-11-9-14(22)10-12-15/h4-5,7-12,25H,2-3,6,13H2,1H3,(H,23,26)
InChIKey
YLZXADCDQSOLKV-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.07355 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08083 191.7
[M+Na]+ 451.06277 196.3
[M+NH4]+ 446.10737 194.7
[M+K]+ 467.03671 194.6
[M-H]- 427.06627 193.8
[M+Na-2H]- 449.04822 194.7
[M]+ 428.07300 191.8
[M]- 428.07410 191.8
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.