CID 479529

Chembl279145

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CCCC3)F)N4CC[C@@H](C4)N
InChI
InChI=1S/C20H24FN3O3/c1-11-17-14(12-4-2-3-5-12)8-15(20(26)27)19(25)24(17)10-16(21)18(11)23-7-6-13(22)9-23/h8,10,12-13H,2-7,9,22H2,1H3,(H,26,27)/t13-/m0/s1
InChIKey
PNWPMBZVPCMJEM-ZDUSSCGKSA-N
Compound name
8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.18018 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 188.4
[M+Na]+ 396.16940 195.4
[M-H]- 372.17290 194.2
[M+NH4]+ 391.21400 201.4
[M+K]+ 412.14334 189.6
[M+H-H2O]+ 356.17744 179.6
[M+HCOO]- 418.17838 202.7
[M+CH3COO]- 432.19403 197.2
[M+Na-2H]- 394.15485 181.9
[M]+ 373.17963 183.5
[M]- 373.18073 183.5
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

No patent data available for this compound.