CID 4671956

476483-04-2

Structural Information

Molecular Formula
C22H20BrN3O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)NC4=CN=CC=C4
InChI
InChI=1S/C22H20BrN3O2/c1-13-19(22(28)26-16-7-4-10-24-12-16)20(14-5-2-6-15(23)11-14)21-17(25-13)8-3-9-18(21)27/h2,4-7,10-12,20,25H,3,8-9H2,1H3,(H,26,28)
InChIKey
BZRSVVWLTDYTND-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08116 194.3
[M+Na]+ 460.06310 199.0
[M+NH4]+ 455.10770 197.8
[M+K]+ 476.03704 197.1
[M-H]- 436.06660 198.1
[M+Na-2H]- 458.04855 198.4
[M]+ 437.07333 194.9
[M]- 437.07443 194.9
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.