CID 3859259

4-(4-bromophenyl)-n-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C23H20BrFN2O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Br)C(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C23H20BrFN2O2/c1-13-20(23(29)27-17-6-3-2-5-16(17)25)21(14-9-11-15(24)12-10-14)22-18(26-13)7-4-8-19(22)28/h2-3,5-6,9-12,21,26H,4,7-8H2,1H3,(H,27,29)
InChIKey
JPVWXBYZRAUTQP-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.0692 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.07648 203.5
[M+Na]+ 477.05842 211.7
[M-H]- 453.06192 211.6
[M+NH4]+ 472.10302 214.4
[M+K]+ 493.03236 197.4
[M+H-H2O]+ 437.06646 198.9
[M+HCOO]- 499.06740 215.7
[M+CH3COO]- 513.08305 212.4
[M+Na-2H]- 475.04387 203.6
[M]+ 454.06865 216.1
[M]- 454.06975 216.1
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.