CID 54684078

303093-28-9

Structural Information

Molecular Formula
C19H15BrN2O3
SMILES
C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C19H15BrN2O3/c1-2-11-22-15-6-4-3-5-14(15)17(23)16(19(22)25)18(24)21-13-9-7-12(20)8-10-13/h2-10,23H,1,11H2,(H,21,24)
InChIKey
PNKRROYPANBQJY-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03388 181.2
[M+Na]+ 421.01582 186.2
[M+NH4]+ 416.06042 184.2
[M+K]+ 436.98976 184.9
[M-H]- 397.01932 183.1
[M+Na-2H]- 419.00127 184.7
[M]+ 398.02605 181.2
[M]- 398.02715 181.2
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.