CID 4549101

421567-05-7

Structural Information

Molecular Formula
C23H20F2N2O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C23H20F2N2O2/c1-13-20(23(29)27-17-5-2-4-16(25)12-17)21(14-8-10-15(24)11-9-14)22-18(26-13)6-3-7-19(22)28/h2,4-5,8-12,21,26H,3,6-7H2,1H3,(H,27,29)
InChIKey
IMIKSAMUOQGTFL-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-4-(4-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

394.1493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15658 194.6
[M+Na]+ 417.13852 201.2
[M-H]- 393.14202 199.5
[M+NH4]+ 412.18312 204.1
[M+K]+ 433.11246 193.3
[M+H-H2O]+ 377.14656 182.4
[M+HCOO]- 439.14750 208.1
[M+CH3COO]- 453.16315 202.2
[M+Na-2H]- 415.12397 193.7
[M]+ 394.14875 187.6
[M]- 394.14985 187.6
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.