CID 484575

112811-83-3

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CCOC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C19H22FN3O4/c1-2-27-18-15-12(9-14(20)16(18)22-7-5-21-6-8-22)17(24)13(19(25)26)10-23(15)11-3-4-11/h9-11,21H,2-8H2,1H3,(H,25,26)
InChIKey
YKKIBHKSHPPCEQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

375.15942 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16670 194.3
[M+Na]+ 398.14864 203.1
[M-H]- 374.15214 197.0
[M+NH4]+ 393.19324 197.3
[M+K]+ 414.12258 195.2
[M+H-H2O]+ 358.15668 183.6
[M+HCOO]- 420.15762 204.8
[M+CH3COO]- 434.17327 217.5
[M+Na-2H]- 396.13409 192.7
[M]+ 375.15887 193.5
[M]- 375.15997 193.5
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.