CID 479017

1-cyclopropyl-6-fluoro-7-(2-hydroxy-1-methyl-ethylamino)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
CC(CO)NC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C16H17FN2O4/c1-8(7-20)18-13-5-14-10(4-12(13)17)15(21)11(16(22)23)6-19(14)9-2-3-9/h4-6,8-9,18,20H,2-3,7H2,1H3,(H,22,23)
InChIKey
KQAKAHVYMLFGHD-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(1-hydroxypropan-2-ylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 168.4
[M+Na]+ 343.10647 178.3
[M-H]- 319.10997 172.0
[M+NH4]+ 338.15107 176.5
[M+K]+ 359.08041 172.0
[M+H-H2O]+ 303.11451 160.5
[M+HCOO]- 365.11545 185.6
[M+CH3COO]- 379.13110 210.8
[M+Na-2H]- 341.09192 169.9
[M]+ 320.11670 171.0
[M]- 320.11780 171.0
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.