CID 488561

Schembl7499392

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)(C)N
InChI
InChI=1S/C20H24FN3O3/c1-11-16-13(12-4-5-12)8-14(19(26)27)18(25)24(16)9-15(21)17(11)23-7-3-6-20(2,22)10-23/h8-9,12H,3-7,10,22H2,1-2H3,(H,26,27)
InChIKey
XSYFSNNKSRMKBY-UHFFFAOYSA-N
Compound name
8-(3-amino-3-methylpiperidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

373.18018 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18746 191.1
[M+Na]+ 396.16940 201.0
[M-H]- 372.17290 196.6
[M+NH4]+ 391.21400 198.1
[M+K]+ 412.14334 194.4
[M+H-H2O]+ 356.17744 182.0
[M+HCOO]- 418.17838 203.9
[M+CH3COO]- 432.19403 222.9
[M+Na-2H]- 394.15485 189.8
[M]+ 373.17963 190.1
[M]- 373.18073 190.1
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

patents stripe