CID 483955

Chembl444598

Structural Information

Molecular Formula
C17H17FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC4
InChI
InChI=1S/C17H17FN2O3/c1-9-14-11(10-3-4-10)7-12(17(22)23)16(21)20(14)8-13(18)15(9)19-5-2-6-19/h7-8,10H,2-6H2,1H3,(H,22,23)
InChIKey
TWBXWLOPKNXPRJ-UHFFFAOYSA-N
Compound name
8-(azetidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

316.1223 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12958 174.4
[M+Na]+ 339.11152 184.5
[M-H]- 315.11502 180.4
[M+NH4]+ 334.15612 176.4
[M+K]+ 355.08546 181.0
[M+H-H2O]+ 299.11956 160.0
[M+HCOO]- 361.12050 189.3
[M+CH3COO]- 375.13615 212.6
[M+Na-2H]- 337.09697 174.4
[M]+ 316.12175 184.6
[M]- 316.12285 184.6
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.