CID 483971

Chembl133480

Structural Information

Molecular Formula
C19H21FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCCC4
InChI
InChI=1S/C19H21FN2O3/c1-11-16-13(12-5-6-12)9-14(19(24)25)18(23)22(16)10-15(20)17(11)21-7-3-2-4-8-21/h9-10,12H,2-8H2,1H3,(H,24,25)
InChIKey
FBNITSCSCJILQW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-4-oxo-8-piperidin-1-ylquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

344.15363 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16091 183.7
[M+Na]+ 367.14285 193.1
[M-H]- 343.14635 189.2
[M+NH4]+ 362.18745 190.1
[M+K]+ 383.11679 186.1
[M+H-H2O]+ 327.15089 173.6
[M+HCOO]- 389.15183 196.9
[M+CH3COO]- 403.16748 192.3
[M+Na-2H]- 365.12830 182.7
[M]+ 344.15308 182.8
[M]- 344.15418 182.8
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.