CID 170455797

1-cyclopropyl-6-fluoro-7-(2-hydroxy-3-methylpiperazin-1-yl)-5-methyl-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CC1C(N(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)C)F)O
InChI
InChI=1S/C19H22FN3O4/c1-9-15-13(23(11-3-4-11)8-12(17(15)24)19(26)27)7-14(16(9)20)22-6-5-21-10(2)18(22)25/h7-8,10-11,18,21,25H,3-6H2,1-2H3,(H,26,27)
InChIKey
SYKPTYIIYNBADB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(2-hydroxy-3-methylpiperazin-1-yl)-5-methyl-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 194.5
[M+Na]+ 398.148638 204.5
[M-H]- 374.152144 196.7
[M+NH4]+ 393.193243 197.4
[M+K]+ 414.122578 195.8
[M+H-H2O]+ 358.156680 184.8
[M+HCOO]- 420.157621 203.4
[M+CH3COO]- 434.173271 218.2
[M+Na-2H]- 396.134086 191.2
[M]+ 375.15887142 193.0
[M]- 375.15996858 193.0
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.