CID 3664285

421566-87-2

Structural Information

Molecular Formula
C24H23FN2O3
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C24H23FN2O3/c1-14-21(24(29)27-16-8-5-7-15(25)13-16)22(17-9-3-4-12-20(17)30-2)23-18(26-14)10-6-11-19(23)28/h3-5,7-9,12-13,22,26H,6,10-11H2,1-2H3,(H,27,29)
InChIKey
PFXLFPKEGJFYHS-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-4-(2-methoxyphenyl)-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

406.16928 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17656 198.5
[M+Na]+ 429.15850 204.2
[M-H]- 405.16200 204.5
[M+NH4]+ 424.20310 207.3
[M+K]+ 445.13244 197.5
[M+H-H2O]+ 389.16654 186.8
[M+HCOO]- 451.16748 212.8
[M+CH3COO]- 465.18313 227.0
[M+Na-2H]- 427.14395 197.8
[M]+ 406.16873 194.1
[M]- 406.16983 194.1
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.