CID 483099

6-chloro-1-cyclopropyl-7-(3-ethylpiperazin-1-yl)-8-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H21ClFN3O3
SMILES
CCC1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)Cl
InChI
InChI=1S/C19H21ClFN3O3/c1-2-10-8-23(6-5-22-10)17-14(20)7-12-16(15(17)21)24(11-3-4-11)9-13(18(12)25)19(26)27/h7,9-11,22H,2-6,8H2,1H3,(H,26,27)
InChIKey
BNFJBTPSMWLXOT-UHFFFAOYSA-N
Compound name
6-chloro-1-cyclopropyl-7-(3-ethylpiperazin-1-yl)-8-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.12555 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13283 194.1
[M+Na]+ 416.11477 204.3
[M-H]- 392.11827 196.8
[M+NH4]+ 411.15937 197.6
[M+K]+ 432.08871 194.8
[M+H-H2O]+ 376.12281 184.2
[M+HCOO]- 438.12375 200.0
[M+CH3COO]- 452.13940 201.0
[M+Na-2H]- 414.10022 191.5
[M]+ 393.12500 194.4
[M]- 393.12610 194.4
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.