CID 486108

Schembl8566201

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCN(CC4)C
InChI
InChI=1S/C19H22FN3O3/c1-11-16-13(12-3-4-12)9-14(19(25)26)18(24)23(16)10-15(20)17(11)22-7-5-21(2)6-8-22/h9-10,12H,3-8H2,1-2H3,(H,25,26)
InChIKey
OGKIAAIKLAKYKM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-(4-methylpiperazin-1-yl)-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

359.16452 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 193.2
[M+Na]+ 382.15374 203.4
[M-H]- 358.15724 197.6
[M+NH4]+ 377.19834 197.8
[M+K]+ 398.12768 195.6
[M+H-H2O]+ 342.16178 182.4
[M+HCOO]- 404.16272 204.8
[M+CH3COO]- 418.17837 218.7
[M+Na-2H]- 380.13919 190.9
[M]+ 359.16397 193.0
[M]- 359.16507 193.0
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