CID 5061269

406183-25-3

Structural Information

Molecular Formula
C22H20FN3O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CN=CC=C3)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C22H20FN3O2/c1-13-19(22(28)26-16-7-2-6-15(23)11-16)20(14-5-4-10-24-12-14)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
VVKUFCARNBUAPK-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.15396 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.161236 191.1
[M+Na]+ 400.143178 197.1
[M-H]- 376.146684 195.7
[M+NH4]+ 395.187783 199.6
[M+K]+ 416.117118 189.5
[M+H-H2O]+ 360.151220 178.9
[M+HCOO]- 422.152161 204.6
[M+CH3COO]- 436.167811 198.6
[M+Na-2H]- 398.128626 192.2
[M]+ 377.15341142 184.8
[M]- 377.15450858 184.8
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.