CID 170454600

1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-oxidopiperazin-1-ium-1-yl)-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/c1-10-9-23(27,6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)8-22(14)12-3-4-12/h7-8,10,12,21H,3-6,9H2,1-2H3,(H,25,26)
InChIKey
GBAZGYYVETXMCL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-oxidopiperazin-1-ium-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

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.166696 186.3
[M+Na]+ 398.148638 195.3
[M-H]- 374.152144 188.3
[M+NH4]+ 393.193243 190.7
[M+K]+ 414.122578 183.0
[M+H-H2O]+ 358.156680 181.4
[M+HCOO]- 420.157621 195.4
[M+CH3COO]- 434.173271 207.8
[M+Na-2H]- 396.134086 187.9
[M]+ 375.15887142 181.9
[M]- 375.15996858 181.9
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.