CID 464879

164662-45-7

Structural Information

Molecular Formula
C23H24FN3O3
SMILES
CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4C)F
InChI
InChI=1S/C23H24FN3O3/c1-13-6-4-5-7-19(13)27-12-17(23(29)30)22(28)16-8-18(24)21(9-20(16)27)26-10-14(2)25-15(3)11-26/h4-9,12,14-15,25H,10-11H2,1-3H3,(H,29,30)
InChIKey
NKLUTHUACREKSY-UHFFFAOYSA-N
Compound name
7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-(2-methylphenyl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.18018 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18746 202.9
[M+Na]+ 432.16940 211.2
[M-H]- 408.17290 205.8
[M+NH4]+ 427.21400 209.0
[M+K]+ 448.14334 203.2
[M+H-H2O]+ 392.17744 190.6
[M+HCOO]- 454.17838 212.1
[M+CH3COO]- 468.19403 209.6
[M+Na-2H]- 430.15485 200.0
[M]+ 409.17963 199.0
[M]- 409.18073 199.0
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.