CID 479603

1-cyclopropyl-7-fluoro-9-methyl-8-[3-((s)-1-methylamino-propyl)-pyrrolidin-1-yl]-4-oxo-4h-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C22H28FN3O3
SMILES
CC[C@@H](C1CCN(C1)C2=C(C3=C(C=C(C(=O)N3C=C2F)C(=O)O)C4CC4)C)NC
InChI
InChI=1S/C22H28FN3O3/c1-4-18(24-3)14-7-8-25(10-14)20-12(2)19-15(13-5-6-13)9-16(22(28)29)21(27)26(19)11-17(20)23/h9,11,13-14,18,24H,4-8,10H2,1-3H3,(H,28,29)/t14?,18-/m0/s1
InChIKey
LSYSKHCHKXDYTB-IBYPIGCZSA-N
Compound name
1-cyclopropyl-7-fluoro-9-methyl-8-[3-[(1S)-1-(methylamino)propyl]pyrrolidin-1-yl]-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

401.21146 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21874 194.9
[M+Na]+ 424.20068 203.5
[M-H]- 400.20418 200.9
[M+NH4]+ 419.24528 200.9
[M+K]+ 440.17462 195.8
[M+H-H2O]+ 384.20872 186.2
[M+HCOO]- 446.20966 209.2
[M+CH3COO]- 460.22531 229.6
[M+Na-2H]- 422.18613 190.3
[M]+ 401.21091 196.6
[M]- 401.21201 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.