CID 461433

1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)CO)F
InChI
InChI=1S/C19H22FN3O4/c1-10-7-22(5-4-21-10)15-6-14-16(13(9-24)17(15)20)18(25)12(19(26)27)8-23(14)11-2-3-11/h6,8,10-11,21,24H,2-5,7,9H2,1H3,(H,26,27)
InChIKey
JENQBINQYGTWHI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

375.15942 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 193.7
[M+Na]+ 398.14864 202.9
[M-H]- 374.15214 195.6
[M+NH4]+ 393.19324 196.4
[M+K]+ 414.12258 194.3
[M+H-H2O]+ 358.15668 183.8
[M+HCOO]- 420.15762 202.7
[M+CH3COO]- 434.17327 216.8
[M+Na-2H]- 396.13409 191.2
[M]+ 375.15887 191.8
[M]- 375.15997 191.8
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.