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

literature stripe

Patent stripe

patents stripe