CID 479650

Schembl8566850

Structural Information

Molecular Formula
C19H21FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)O
InChI
InChI=1S/C19H21FN2O4/c1-10-16-13(11-4-5-11)7-14(19(25)26)18(24)22(16)9-15(20)17(10)21-6-2-3-12(23)8-21/h7,9,11-12,23H,2-6,8H2,1H3,(H,25,26)
InChIKey
SHYFRLKXYUCMHI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-(3-hydroxypiperidin-1-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

360.14853 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15581 186.1
[M+Na]+ 383.13775 195.7
[M-H]- 359.14125 190.7
[M+NH4]+ 378.18235 191.4
[M+K]+ 399.11169 188.5
[M+H-H2O]+ 343.14579 176.5
[M+HCOO]- 405.14673 197.8
[M+CH3COO]- 419.16238 216.1
[M+Na-2H]- 381.12320 184.2
[M]+ 360.14798 185.4
[M]- 360.14908 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.