CID 479009

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

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
COCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C16H17FN2O4/c1-23-5-4-18-13-7-14-10(6-12(13)17)15(20)11(16(21)22)8-19(14)9-2-3-9/h6-9,18H,2-5H2,1H3,(H,21,22)
InChIKey
RUKZMYFLEMWDGC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(2-methoxyethylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 170.6
[M+Na]+ 343.10647 181.2
[M-H]- 319.10997 175.4
[M+NH4]+ 338.15107 179.5
[M+K]+ 359.08041 175.2
[M+H-H2O]+ 303.11451 162.0
[M+HCOO]- 365.11545 190.1
[M+CH3COO]- 379.13110 212.0
[M+Na-2H]- 341.09192 173.4
[M]+ 320.11670 175.4
[M]- 320.11780 175.4
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.