CID 486104

1-cyclopropyl-8-(dipropylamino)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C20H25FN2O3
SMILES
CCCN(CCC)C1=C(C2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3)C
InChI
InChI=1S/C20H25FN2O3/c1-4-8-22(9-5-2)18-12(3)17-14(13-6-7-13)10-15(20(25)26)19(24)23(17)11-16(18)21/h10-11,13H,4-9H2,1-3H3,(H,25,26)
InChIKey
VTXUTFOUXSSNHP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-8-(dipropylamino)-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1849 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19218 184.7
[M+Na]+ 383.17412 194.6
[M-H]- 359.17762 190.5
[M+NH4]+ 378.21872 192.9
[M+K]+ 399.14806 188.6
[M+H-H2O]+ 343.18216 175.7
[M+HCOO]- 405.18310 203.1
[M+CH3COO]- 419.19875 225.6
[M+Na-2H]- 381.15957 183.9
[M]+ 360.18435 190.9
[M]- 360.18545 190.9
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

No patent data available for this compound.