CID 5189678

361194-18-5

Structural Information

Molecular Formula
C22H20BrN3O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C22H20BrN3O2/c1-13-19(22(28)26-18-10-2-3-11-24-18)20(14-6-4-7-15(23)12-14)21-16(25-13)8-5-9-17(21)27/h2-4,6-7,10-12,20,25H,5,8-9H2,1H3,(H,24,26,28)
InChIKey
GUSVZRVKYMQDAF-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

437.07388 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.08116 197.0
[M+Na]+ 460.06310 204.8
[M-H]- 436.06660 205.0
[M+NH4]+ 455.10770 207.1
[M+K]+ 476.03704 190.9
[M+H-H2O]+ 420.07114 192.8
[M+HCOO]- 482.07208 209.5
[M+CH3COO]- 496.08773 206.1
[M+Na-2H]- 458.04855 199.5
[M]+ 437.07333 210.5
[M]- 437.07443 210.5
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.