CID 464878

164662-44-6

Structural Information

Molecular Formula
C22H22FN3O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F
InChI
InChI=1S/C22H22FN3O3/c1-13-10-25(11-14(2)24-13)20-9-19-16(8-18(20)23)21(27)17(22(28)29)12-26(19)15-6-4-3-5-7-15/h3-9,12-14,24H,10-11H2,1-2H3,(H,28,29)
InChIKey
PUQMQQUAZHQKAX-UHFFFAOYSA-N
Compound name
7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1-phenylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.16452 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17180 197.8
[M+Na]+ 418.15374 205.7
[M-H]- 394.15724 200.5
[M+NH4]+ 413.19834 204.2
[M+K]+ 434.12768 197.8
[M+H-H2O]+ 378.16178 185.5
[M+HCOO]- 440.16272 207.4
[M+CH3COO]- 454.17837 204.7
[M+Na-2H]- 416.13919 196.3
[M]+ 395.16397 193.2
[M]- 395.16507 193.2
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

No patent data available for this compound.