CID 479532

Chembl422569

Structural Information

Molecular Formula
C15H16FN3O3
SMILES
CC1=C(C(=CN2C1=CC=C(C2=O)C(=O)O)F)N3CC[C@@H](C3)N
InChI
InChI=1S/C15H16FN3O3/c1-8-12-3-2-10(15(21)22)14(20)19(12)7-11(16)13(8)18-5-4-9(17)6-18/h2-3,7,9H,4-6,17H2,1H3,(H,21,22)/t9-/m0/s1
InChIKey
SGZBIVKMJZNULR-VIFPVBQESA-N
Compound name
8-[(3S)-3-aminopyrrolidin-1-yl]-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.11758 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12486 168.6
[M+Na]+ 328.10680 178.1
[M-H]- 304.11030 171.5
[M+NH4]+ 323.15140 182.9
[M+K]+ 344.08074 173.0
[M+H-H2O]+ 288.11484 160.0
[M+HCOO]- 350.11578 185.3
[M+CH3COO]- 364.13143 206.3
[M+Na-2H]- 326.09225 167.6
[M]+ 305.11703 165.9
[M]- 305.11813 165.9
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.