CID 488598

Schembl8570200

Structural Information

Molecular Formula
C20H23FN2O4
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)CO
InChI
InChI=1S/C20H23FN2O4/c1-11-17-14(13-4-5-13)7-15(20(26)27)19(25)23(17)9-16(21)18(11)22-6-2-3-12(8-22)10-24/h7,9,12-13,24H,2-6,8,10H2,1H3,(H,26,27)
InChIKey
BTBKWTTZQWNACC-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[3-(hydroxymethyl)piperidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.16418 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17146 190.1
[M+Na]+ 397.15340 199.3
[M-H]- 373.15690 194.5
[M+NH4]+ 392.19800 194.9
[M+K]+ 413.12734 191.9
[M+H-H2O]+ 357.16144 180.4
[M+HCOO]- 419.16238 201.5
[M+CH3COO]- 433.17803 218.9
[M+Na-2H]- 395.13885 187.8
[M]+ 374.16363 189.7
[M]- 374.16473 189.7
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.