CID 479013

1-cyclopropyl-7-[2,2-dimethoxyethyl(methyl)amino]-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H21FN2O5
SMILES
CN(CC(OC)OC)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C18H21FN2O5/c1-20(9-16(25-2)26-3)15-7-14-11(6-13(15)19)17(22)12(18(23)24)8-21(14)10-4-5-10/h6-8,10,16H,4-5,9H2,1-3H3,(H,23,24)
InChIKey
LKUAZKJSUXOABA-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2,2-dimethoxyethyl(methyl)amino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.14346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15074 181.7
[M+Na]+ 387.13268 190.9
[M-H]- 363.13618 187.5
[M+NH4]+ 382.17728 189.2
[M+K]+ 403.10662 186.9
[M+H-H2O]+ 347.14072 172.8
[M+HCOO]- 409.14166 200.2
[M+CH3COO]- 423.15731 223.8
[M+Na-2H]- 385.11813 181.8
[M]+ 364.14291 189.1
[M]- 364.14401 189.1
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.