CID 170456124

6-fluoro-1-(1-hydroxycyclopropyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4(CC4)O)C)F
InChI
InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)14-7-13-15(11(2)16(14)20)17(24)12(18(25)26)9-23(13)19(27)3-4-19/h7,9-10,21,27H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
XKWGVDQFSGEEFZ-UHFFFAOYSA-N
Compound name
6-fluoro-1-(1-hydroxycyclopropyl)-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15942 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 194.3
[M+Na]+ 398.148638 204.4
[M-H]- 374.152144 196.5
[M+NH4]+ 393.193243 198.9
[M+K]+ 414.122578 196.9
[M+H-H2O]+ 358.156680 185.2
[M+HCOO]- 420.157621 202.9
[M+CH3COO]- 434.173271 216.4
[M+Na-2H]- 396.134086 192.9
[M]+ 375.15887142 192.9
[M]- 375.15996858 192.9
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.