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 182.8
[M+Na]+ 421.01582 193.9
[M-H]- 397.01932 190.5
[M+NH4]+ 416.06042 196.5
[M+K]+ 436.98976 180.3
[M+H-H2O]+ 381.02386 180.0
[M+HCOO]- 443.02480 200.7
[M+CH3COO]- 457.04045 218.1
[M+Na-2H]- 419.00127 187.3
[M]+ 398.02605 202.0
[M]- 398.02715 202.0
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.