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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.