CID 12733939

75001-82-0

Structural Information

Molecular Formula
C15H18FN3O
SMILES
CCN1C=CC(=O)C2=CC(=C(C=C21)N3CCNCC3)F
InChI
InChI=1S/C15H18FN3O/c1-2-18-6-3-15(20)11-9-12(16)14(10-13(11)18)19-7-4-17-5-8-19/h3,6,9-10,17H,2,4-5,7-8H2,1H3
InChIKey
GGLTXLVORITVKE-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

275.1434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15068 165.5
[M+Na]+ 298.13262 173.6
[M-H]- 274.13612 165.9
[M+NH4]+ 293.17722 178.0
[M+K]+ 314.10656 167.1
[M+H-H2O]+ 258.14066 154.8
[M+HCOO]- 320.14160 178.6
[M+CH3COO]- 334.15725 174.9
[M+Na-2H]- 296.11807 168.9
[M]+ 275.14285 160.2
[M]- 275.14395 160.2
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

patents stripe