CID 54679060

Cbmicro_023575

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3F)O
InChI
InChI=1S/C21H21FN2O3/c1-2-3-8-13-24-17-12-7-4-9-14(17)19(25)18(21(24)27)20(26)23-16-11-6-5-10-15(16)22/h4-7,9-12,25H,2-3,8,13H2,1H3,(H,23,26)
InChIKey
IJCILFHLIIZIAU-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.15363 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16091 187.6
[M+Na]+ 391.14285 195.7
[M-H]- 367.14635 191.4
[M+NH4]+ 386.18745 198.8
[M+K]+ 407.11679 189.4
[M+H-H2O]+ 351.15089 177.2
[M+HCOO]- 413.15183 206.2
[M+CH3COO]- 427.16748 219.5
[M+Na-2H]- 389.12830 189.7
[M]+ 368.15308 188.8
[M]- 368.15418 188.8
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.