CID 465942

6-fluoro-1-isopropyl-7-(3-methylpyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C18H21FN2O3
SMILES
CC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)C)F
InChI
InChI=1S/C18H21FN2O3/c1-10(2)21-9-13(18(23)24)17(22)12-6-14(19)16(7-15(12)21)20-5-4-11(3)8-20/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24)
InChIKey
WTLMKPAUEDHKIN-UHFFFAOYSA-N
Compound name
6-fluoro-7-(3-methylpyrrolidin-1-yl)-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.15363 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16091 177.2
[M+Na]+ 355.14285 186.0
[M-H]- 331.14635 180.2
[M+NH4]+ 350.18745 191.0
[M+K]+ 371.11679 181.1
[M+H-H2O]+ 315.15089 168.6
[M+HCOO]- 377.15183 191.5
[M+CH3COO]- 391.16748 211.5
[M+Na-2H]- 353.12830 174.0
[M]+ 332.15308 176.6
[M]- 332.15418 176.6
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.