CID 478999

1-cyclopropyl-7-(2-dimethylaminoethylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H20FN3O3
SMILES
CN(C)CCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C17H20FN3O3/c1-20(2)6-5-19-14-8-15-11(7-13(14)18)16(22)12(17(23)24)9-21(15)10-3-4-10/h7-10,19H,3-6H2,1-2H3,(H,23,24)
InChIKey
IMUPQSXESXUZNR-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2-(dimethylamino)ethylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14886 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15614 174.8
[M+Na]+ 356.13808 184.3
[M-H]- 332.14158 180.8
[M+NH4]+ 351.18268 183.5
[M+K]+ 372.11202 178.8
[M+H-H2O]+ 316.14612 165.9
[M+HCOO]- 378.14706 195.4
[M+CH3COO]- 392.16271 220.9
[M+Na-2H]- 354.12353 176.8
[M]+ 333.14831 179.0
[M]- 333.14941 179.0
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.