CID 479011

1-cyclopropyl-7-(2,2-dimethoxyethylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H19FN2O5
SMILES
COC(CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)OC
InChI
InChI=1S/C17H19FN2O5/c1-24-15(25-2)7-19-13-6-14-10(5-12(13)18)16(21)11(17(22)23)8-20(14)9-3-4-9/h5-6,8-9,15,19H,3-4,7H2,1-2H3,(H,22,23)
InChIKey
DSRKUPVYBBJFDK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(2,2-dimethoxyethylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1278 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13508 177.1
[M+Na]+ 373.11702 186.7
[M-H]- 349.12052 181.8
[M+NH4]+ 368.16162 184.6
[M+K]+ 389.09096 181.6
[M+H-H2O]+ 333.12506 168.4
[M+HCOO]- 395.12600 195.4
[M+CH3COO]- 409.14165 217.9
[M+Na-2H]- 371.10247 178.4
[M]+ 350.12725 183.1
[M]- 350.12835 183.1
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.