CID 479557

1-cyclopropyl-7-fluoro-8-imidazol-1-yl-4-oxo-quinolizine-3-carboxylic acid

Structural Information

Molecular Formula
C16H12FN3O3
SMILES
C1CC1C2=C3C=C(C(=CN3C(=O)C(=C2)C(=O)O)F)N4C=CN=C4
InChI
InChI=1S/C16H12FN3O3/c17-12-7-20-13(6-14(12)19-4-3-18-8-19)10(9-1-2-9)5-11(15(20)21)16(22)23/h3-9H,1-2H2,(H,22,23)
InChIKey
RKTUNPWDJFVWMQ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-fluoro-8-imidazol-1-yl-4-oxoquinolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.08627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09355 173.8
[M+Na]+ 336.07549 187.4
[M-H]- 312.07899 179.9
[M+NH4]+ 331.12009 182.0
[M+K]+ 352.04943 179.4
[M+H-H2O]+ 296.08353 164.3
[M+HCOO]- 358.08447 193.0
[M+CH3COO]- 372.10012 184.8
[M+Na-2H]- 334.06094 175.7
[M]+ 313.08572 178.1
[M]- 313.08682 178.1
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.