CID 479648

8-[4-(aminomethyl)-1-piperidyl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H24FN3O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCC(CC4)CN
InChI
InChI=1S/C20H24FN3O3/c1-11-17-14(13-2-3-13)8-15(20(26)27)19(25)24(17)10-16(21)18(11)23-6-4-12(9-22)5-7-23/h8,10,12-13H,2-7,9,22H2,1H3,(H,26,27)
InChIKey
ONWOCLMWNDNKAF-UHFFFAOYSA-N
Compound name
8-[4-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
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 190.8
[M+Na]+ 396.16940 199.8
[M-H]- 372.17290 195.9
[M+NH4]+ 391.21400 195.8
[M+K]+ 412.14334 192.1
[M+H-H2O]+ 356.17744 180.8
[M+HCOO]- 418.17838 204.0
[M+CH3COO]- 432.19403 223.4
[M+Na-2H]- 394.15485 188.4
[M]+ 373.17963 189.2
[M]- 373.18073 189.2
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

patents stripe