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]+ 378.16124 191.1
[M+Na]+ 400.14318 197.1
[M-H]- 376.14668 195.7
[M+NH4]+ 395.18778 199.6
[M+K]+ 416.11712 189.5
[M+H-H2O]+ 360.15122 178.9
[M+HCOO]- 422.15216 204.6
[M+CH3COO]- 436.16781 198.6
[M+Na-2H]- 398.12863 192.2
[M]+ 377.15341 184.8
[M]- 377.15451 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.