CID 2901717

406183-37-7

Structural Information

Molecular Formula
C24H24FN3O2
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C24H24FN3O2/c1-14-20(23(30)28-17-8-4-7-16(25)10-17)21(15-6-5-9-26-13-15)22-18(27-14)11-24(2,3)12-19(22)29/h4-10,13,21,27H,11-12H2,1-3H3,(H,28,30)
InChIKey
PGIJCAXZAWGWNC-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

405.18524 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19252 200.6
[M+Na]+ 428.17446 207.8
[M-H]- 404.17796 205.7
[M+NH4]+ 423.21906 210.4
[M+K]+ 444.14840 200.3
[M+H-H2O]+ 388.18250 188.5
[M+HCOO]- 450.18344 213.5
[M+CH3COO]- 464.19909 208.1
[M+Na-2H]- 426.15991 201.0
[M]+ 405.18469 195.8
[M]- 405.18579 195.8
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.