CID 479649

Schembl8563277

Structural Information

Molecular Formula
C20H22FN3O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)C(=O)N
InChI
InChI=1S/C20H22FN3O4/c1-10-16-13(11-4-5-11)7-14(20(27)28)19(26)24(16)9-15(21)17(10)23-6-2-3-12(8-23)18(22)25/h7,9,11-12H,2-6,8H2,1H3,(H2,22,25)(H,27,28)
InChIKey
KPJYIZZKJXPREK-UHFFFAOYSA-N
Compound name
8-(3-carbamoylpiperidin-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

4
Patents

387.15942 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16670 191.8
[M+Na]+ 410.14864 200.5
[M-H]- 386.15214 197.1
[M+NH4]+ 405.19324 196.0
[M+K]+ 426.12258 193.4
[M+H-H2O]+ 370.15668 182.2
[M+HCOO]- 432.15762 204.3
[M+CH3COO]- 446.17327 226.0
[M+Na-2H]- 408.13409 188.7
[M]+ 387.15887 190.5
[M]- 387.15997 190.5
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

patents stripe