CID 479000

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

Structural Information

Molecular Formula
C19H24FN3O3
SMILES
CCN(CC)CCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C19H24FN3O3/c1-3-22(4-2)8-7-21-16-10-17-13(9-15(16)20)18(24)14(19(25)26)11-23(17)12-5-6-12/h9-12,21H,3-8H2,1-2H3,(H,25,26)
InChIKey
YHOTWXOLJOUMKS-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[2-(diethylamino)ethylamino]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.18018 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18746 183.1
[M+Na]+ 384.16940 191.8
[M-H]- 360.17290 188.7
[M+NH4]+ 379.21400 190.7
[M+K]+ 400.14334 185.9
[M+H-H2O]+ 344.17744 173.9
[M+HCOO]- 406.17838 203.0
[M+CH3COO]- 420.19403 226.5
[M+Na-2H]- 382.15485 184.2
[M]+ 361.17963 188.0
[M]- 361.18073 188.0
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.