CID 483956

Chembl334659

Structural Information

Molecular Formula
C17H17FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCO4
InChI
InChI=1S/C17H17FN2O4/c1-9-14-11(10-3-4-10)7-12(17(22)23)16(21)19(14)8-13(18)15(9)20-5-2-6-24-20/h7-8,10H,2-6H2,1H3,(H,22,23)
InChIKey
HXDSENNGNINECW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-(1,2-oxazolidin-2-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

332.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12453 176.5
[M+Na]+ 355.10647 187.8
[M-H]- 331.10997 183.8
[M+NH4]+ 350.15107 184.1
[M+K]+ 371.08041 182.3
[M+H-H2O]+ 315.11451 167.9
[M+HCOO]- 377.11545 191.5
[M+CH3COO]- 391.13110 186.8
[M+Na-2H]- 353.09192 175.6
[M]+ 332.11670 179.3
[M]- 332.11780 179.3
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.