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

literature stripe

Patent stripe

patents stripe