CID 479530

Chembl16998

Structural Information

Molecular Formula
C19H22FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)CC3CC3)F)N4CC[C@@H](C4)N
InChI
InChI=1S/C19H22FN3O3/c1-10-16-12(6-11-2-3-11)7-14(19(25)26)18(24)23(16)9-15(20)17(10)22-5-4-13(21)8-22/h7,9,11,13H,2-6,8,21H2,1H3,(H,25,26)/t13-/m0/s1
InChIKey
HFVLPNYJCFGYGE-ZDUSSCGKSA-N
Compound name
8-[(3S)-3-aminopyrrolidin-1-yl]-1-(cyclopropylmethyl)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.16452 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17180 183.8
[M+Na]+ 382.15374 194.0
[M-H]- 358.15724 189.8
[M+NH4]+ 377.19834 191.3
[M+K]+ 398.12768 186.1
[M+H-H2O]+ 342.16178 175.3
[M+HCOO]- 404.16272 199.4
[M+CH3COO]- 418.17837 219.8
[M+Na-2H]- 380.13919 180.6
[M]+ 359.16397 184.2
[M]- 359.16507 184.2
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.