CID 479589

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

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(C4)(C)N
InChI
InChI=1S/C19H22FN3O3/c1-10-15-12(11-3-4-11)7-13(18(25)26)17(24)23(15)8-14(20)16(10)22-6-5-19(2,21)9-22/h7-8,11H,3-6,9,21H2,1-2H3,(H,25,26)
InChIKey
SVKCADFSORRFAD-UHFFFAOYSA-N
Compound name
8-(3-amino-3-methylpyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

359.16452 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 183.5
[M+Na]+ 382.15374 194.7
[M-H]- 358.15724 189.9
[M+NH4]+ 377.19834 193.1
[M+K]+ 398.12768 187.7
[M+H-H2O]+ 342.16178 176.0
[M+HCOO]- 404.16272 198.8
[M+CH3COO]- 418.17837 219.4
[M+Na-2H]- 380.13919 181.5
[M]+ 359.16397 184.5
[M]- 359.16507 184.5
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