CID 7019465

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C14H11F2NO4
SMILES
COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O
InChI
InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)
InChIKey
WQJZXSSAMGZVTM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

607
Patents

295.0656 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07288 160.8
[M+Na]+ 318.05482 173.9
[M-H]- 294.05832 165.0
[M+NH4]+ 313.09942 171.1
[M+K]+ 334.02876 167.9
[M+H-H2O]+ 278.06286 151.9
[M+HCOO]- 340.06380 178.8
[M+CH3COO]- 354.07945 205.2
[M+Na-2H]- 316.04027 162.8
[M]+ 295.06505 164.8
[M]- 295.06615 164.8
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