CID 479805

8-(1-aminocyclopropyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C17H17FN2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)C4(CC4)N
InChI
InChI=1S/C17H17FN2O3/c1-8-13(17(19)4-5-17)12(18)7-20-14(8)10(9-2-3-9)6-11(15(20)21)16(22)23/h6-7,9H,2-5,19H2,1H3,(H,22,23)
InChIKey
JCFURXOJWKDGPB-UHFFFAOYSA-N
Compound name
8-(1-aminocyclopropyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1223 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12958 175.5
[M+Na]+ 339.11152 185.4
[M-H]- 315.11502 182.4
[M+NH4]+ 334.15612 180.3
[M+K]+ 355.08546 180.6
[M+H-H2O]+ 299.11956 169.6
[M+HCOO]- 361.12050 190.9
[M+CH3COO]- 375.13615 217.5
[M+Na-2H]- 337.09697 175.6
[M]+ 316.12175 179.3
[M]- 316.12285 179.3
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.