CID 488585

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

Structural Information

Molecular Formula
C20H22F2N2O3
SMILES
CC1=C(C(=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)F)N4CCCC(C4)CF
InChI
InChI=1S/C20H22F2N2O3/c1-11-17-14(13-4-5-13)7-15(20(26)27)19(25)24(17)10-16(22)18(11)23-6-2-3-12(8-21)9-23/h7,10,12-13H,2-6,8-9H2,1H3,(H,26,27)
InChIKey
YETJNWFMAXAVLT-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15985 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16713 190.1
[M+Na]+ 399.14907 199.9
[M-H]- 375.15257 194.4
[M+NH4]+ 394.19367 195.4
[M+K]+ 415.12301 192.1
[M+H-H2O]+ 359.15711 178.9
[M+HCOO]- 421.15805 201.7
[M+CH3COO]- 435.17370 221.3
[M+Na-2H]- 397.13452 187.3
[M]+ 376.15930 188.8
[M]- 376.16040 188.8
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.