CID 483615

182868-77-5

Structural Information

Molecular Formula
C19H22FN3O4
SMILES
CCOC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C19H22FN3O4/c1-2-27-18-15-12(7-14(20)16(18)22-6-5-10(21)8-22)17(24)13(19(25)26)9-23(15)11-3-4-11/h7,9-11H,2-6,8,21H2,1H3,(H,25,26)
InChIKey
FXEJDXZADAOEFO-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 376.16670 186.8
[M+Na]+ 398.14864 196.7
[M-H]- 374.15214 192.7
[M+NH4]+ 393.19324 193.5
[M+K]+ 414.12258 189.3
[M+H-H2O]+ 358.15668 178.2
[M+HCOO]- 420.15762 202.5
[M+CH3COO]- 434.17327 222.0
[M+Na-2H]- 396.13409 183.7
[M]+ 375.15887 188.5
[M]- 375.15997 188.5
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

No patent data available for this compound.