CID 479804

Schembl4747781

Structural Information

Molecular Formula
C15H14FNO3
SMILES
CC1=C(C2=C(C=C(C(=O)N2C=C1F)C(=O)O)C3CC3)C
InChI
InChI=1S/C15H14FNO3/c1-7-8(2)13-10(9-3-4-9)5-11(15(19)20)14(18)17(13)6-12(7)16/h5-6,9H,3-4H2,1-2H3,(H,19,20)
InChIKey
MIDNYEWVIDINSF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8,9-dimethyl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

275.09576 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10304 159.7
[M+Na]+ 298.08498 172.6
[M-H]- 274.08848 165.2
[M+NH4]+ 293.12958 171.1
[M+K]+ 314.05892 166.5
[M+H-H2O]+ 258.09302 151.9
[M+HCOO]- 320.09396 178.3
[M+CH3COO]- 334.10961 203.4
[M+Na-2H]- 296.07043 161.7
[M]+ 275.09521 163.8
[M]- 275.09631 163.8
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