CID 479591

1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C18H19FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)O
InChI
InChI=1S/C18H19FN2O4/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)21(15)8-14(19)16(9)20-5-4-11(22)7-20/h6,8,10-11,22H,2-5,7H2,1H3,(H,24,25)
InChIKey
NLTAOJSBWKLHME-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-(3-hydroxypyrrolidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

346.13287 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14015 179.2
[M+Na]+ 369.12209 190.1
[M-H]- 345.12559 184.7
[M+NH4]+ 364.16669 187.1
[M+K]+ 385.09603 182.6
[M+H-H2O]+ 329.13013 171.2
[M+HCOO]- 391.13107 193.4
[M+CH3COO]- 405.14672 212.5
[M+Na-2H]- 367.10754 176.5
[M]+ 346.13232 180.5
[M]- 346.13342 180.5
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

patents stripe